
 CHEMBL342341

 85 88  0  0  0  0  0  0  0  0999 V2000
    3.4045   -2.0070    0.1379 C   0  0  0  0  0
    3.7410   -0.9988   -0.8097 O   0  0  0  0  0
    4.5383   -0.0461   -0.1666 N   0  0  0  0  0
    4.7151    1.0202   -0.8964 C   0  0  0  0  0
    4.1585    1.2082   -2.3006 C   0  0  0  0  0
    2.9681    1.9800   -2.1898 O   0  0  0  0  0
    2.2268    1.9837   -3.4036 C   0  0  0  0  0
    0.9190    2.6869   -3.1465 C   0  0  0  0  0
   -0.1956    1.9650   -2.6937 C   0  0  0  0  0
   -1.4159    2.6060   -2.4306 C   0  0  0  0  0
   -1.5067    3.9957   -2.6157 C   0  0  0  0  0
   -0.3992    4.7415   -3.0504 C   0  0  0  0  0
    0.8094    4.0746   -3.3090 C   0  0  0  0  0
   -0.4858    6.2379   -3.2363 C   0  0  0  0  0
    0.3847    6.9141   -2.4372 F   0  0  0  0  0
   -0.1958    6.6187   -4.5115 F   0  0  0  0  0
   -1.7183    6.7501   -2.9653 F   0  0  0  0  0
   -2.6195    1.8286   -1.9516 C   0  0  0  0  0
   -3.0645    2.2533   -0.7372 F   0  0  0  0  0
   -3.6792    1.9456   -2.7995 F   0  0  0  0  0
   -2.3927    0.4920   -1.8223 F   0  0  0  0  0
    5.5302    2.1860   -0.3154 C   0  0  0  0  0
    5.1611    2.4029    1.1655 C   0  0  0  0  0
    5.8251    3.6390    1.7938 C   0  0  0  0  0
    5.4697    3.7236    3.2163 N   0  0  0  0  0
    6.2313    2.7959    4.0665 C   0  0  0  0  0
    7.6492    3.2575    4.3913 C   0  0  0  0  0
    7.6990    4.6623    5.0202 C   0  0  0  0  0
    6.9011    5.6111    4.1032 C   0  0  0  0  0
    5.5061    5.0900    3.7467 C   0  0  0  0  0
    7.4574    4.7654    6.4691 N   0  0  0  0  0
    6.2171    5.2703    7.0344 C   0  0  0  0  0
    5.2542    4.1701    7.4816 C   0  0  0  0  0
    5.9403    3.1635    8.4031 C   0  0  0  0  0
    7.2492    2.6535    7.7891 C   0  0  0  0  0
    8.1484    3.8136    7.3411 C   0  0  0  0  0
    8.0190    1.7310    8.7201 C   0  0  0  0  0
    8.4655    0.6480    8.3524 O   0  0  0  0  0
    8.2594    2.1707    9.9858 N   0  0  0  0  0
    7.0190    1.9587   -0.5423 C   0  0  0  0  0
    7.7197    2.7514   -1.4653 C   0  0  0  0  0
    9.0935    2.5680   -1.6705 C   0  0  0  0  0
    9.7825    1.5864   -0.9521 C   0  0  0  0  0
    9.0927    0.7867   -0.0394 C   0  0  0  0  0
    7.7219    0.9673    0.1589 C   0  0  0  0  0
   11.4769    1.3113   -1.1451 Cl  0  0  0  0  0
    9.8737    3.5906   -2.8248 Cl  0  0  0  0  0
    2.7833   -2.7564   -0.3593 H   0  0  0  0  0
    2.8365   -1.5714    0.9662 H   0  0  0  0  0
    4.3105   -2.4906    0.5156 H   0  0  0  0  0
    3.9622    0.2425   -2.7758 H   0  0  0  0  0
    4.8885    1.7509   -2.9102 H   0  0  0  0  0
    2.0348    0.9586   -3.7434 H   0  0  0  0  0
    2.7945    2.5003   -4.1865 H   0  0  0  0  0
   -0.1068    0.8895   -2.5362 H   0  0  0  0  0
   -2.4520    4.5007   -2.4096 H   0  0  0  0  0
    1.6781    4.6483   -3.6333 H   0  0  0  0  0
    5.2242    3.0909   -0.8582 H   0  0  0  0  0
    5.4011    1.5030    1.7407 H   0  0  0  0  0
    4.0701    2.5165    1.2409 H   0  0  0  0  0
    5.4426    4.5158    1.2553 H   0  0  0  0  0
    6.9108    3.6374    1.6535 H   0  0  0  0  0
    6.2854    1.7989    3.6169 H   0  0  0  0  0
    5.6736    2.6419    4.9921 H   0  0  0  0  0
    8.1492    2.5108    5.0156 H   0  0  0  0  0
    8.2392    3.2754    3.4646 H   0  0  0  0  0
    8.7448    4.9875    4.9196 H   0  0  0  0  0
    6.8322    6.6125    4.5444 H   0  0  0  0  0
    7.4673    5.7458    3.1707 H   0  0  0  0  0
    4.8582    5.1138    4.6276 H   0  0  0  0  0
    5.0306    5.7853    3.0432 H   0  0  0  0  0
    5.7054    5.9874    6.3894 H   0  0  0  0  0
    6.4794    5.8614    7.9227 H   0  0  0  0  0
    4.4060    4.6210    8.0098 H   0  0  0  0  0
    4.8329    3.6535    6.6159 H   0  0  0  0  0
    6.1226    3.6498    9.3680 H   0  0  0  0  0
    5.2665    2.3219    8.6044 H   0  0  0  0  0
    6.9827    2.0422    6.9181 H   0  0  0  0  0
    8.4982    4.3643    8.2252 H   0  0  0  0  0
    9.0681    3.4368    6.8759 H   0  0  0  0  0
    7.8914    3.0298   10.3671 H   0  0  0  0  0
    8.7623    1.5473   10.6044 H   0  0  0  0  0
    7.1984    3.5253   -2.0257 H   0  0  0  0  0
    9.6153    0.0167    0.5237 H   0  0  0  0  0
    7.2073    0.3224    0.8711 H   0  0  0  0  0
  1  2  1  0  0  0
  1 48  1  0  0  0
  1 49  1  0  0  0
  1 50  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  4 22  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 51  1  0  0  0
  5 52  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 53  1  0  0  0
  7 54  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 55  1  0  0  0
 10 11  2  0  0  0
 10 18  1  0  0  0
 11 12  1  0  0  0
 11 56  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 57  1  0  0  0
 14 17  1  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 18 21  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 22 40  1  0  0  0
 22 23  1  0  0  0
 22 58  1  0  0  0
 23 24  1  0  0  0
 23 59  1  0  0  0
 23 60  1  0  0  0
 24 25  1  0  0  0
 24 61  1  0  0  0
 24 62  1  0  0  0
 25 30  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 63  1  0  0  0
 26 64  1  0  0  0
 27 28  1  0  0  0
 27 65  1  0  0  0
 27 66  1  0  0  0
 28 29  1  0  0  0
 28 31  1  0  0  0
 28 67  1  0  0  0
 29 30  1  0  0  0
 29 68  1  0  0  0
 29 69  1  0  0  0
 30 70  1  0  0  0
 30 71  1  0  0  0
 31 36  1  0  0  0
 31 32  1  0  0  0
 32 33  1  0  0  0
 32 72  1  0  0  0
 32 73  1  0  0  0
 33 34  1  0  0  0
 33 74  1  0  0  0
 33 75  1  0  0  0
 34 35  1  0  0  0
 34 76  1  0  0  0
 34 77  1  0  0  0
 35 36  1  0  0  0
 35 37  1  0  0  0
 35 78  1  0  0  0
 36 79  1  0  0  0
 36 80  1  0  0  0
 37 39  1  0  0  0
 37 38  2  0  0  0
 39 81  1  0  0  0
 39 82  1  0  0  0
 40 41  2  0  0  0
 40 45  1  0  0  0
 41 42  1  0  0  0
 41 83  1  0  0  0
 42 43  2  0  0  0
 42 47  1  0  0  0
 43 44  1  0  0  0
 43 46  1  0  0  0
 44 45  2  0  0  0
 44 84  1  0  0  0
 45 85  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL342341

>  <PubChem CID>
44215303

>  <Formula>
C32H38Cl2F6N4O3

>  <Molecular Weight>
711.571000

>  <IUPAC Name>
1-[1-[(4Z)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]piperidine-3-carboxamide

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
CON=C(COCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(CCN2CCC(CC2)N3CCCC(C3)C(=O)N)C4=CC(=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
CO/N=C(\COCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)/C(CCN2CCC(CC2)N3CCCC(C3)C(=O)N)C4=CC(=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C32H38Cl2F6N4O3/c1-46-42-29(19-47-18-20-13-23(31(35,36)37)16-24(14-20)32(38,39)40)26(21-4-5-27(33)28(34)15-21)8-12-43-10-6-25(7-11-43)44-9-2-3-22(17-44)30(41)45/h4-5,13-16,22,25-26H,2-3,6-12,17-19H2,1H3,(H2,41,45)/b42-29+

>  <InChI Key>
ASXZZPJDUJGTRI-JSKGAOECSA-N

