
 CHEMBL607065

 65 67  0  0  0  0  0  0  0  0999 V2000
    7.2318    0.0848    2.0455 C   0  0  0  0  0
    5.8220    0.6299    2.1922 C   0  0  0  0  0
    5.6021    1.3788    3.4362 N   0  0  0  0  0
    5.4286    0.5978    4.6653 C   0  0  0  0  0
    6.7200    0.3685    5.4399 C   0  0  0  0  0
    5.7282    2.7675    3.5978 C   0  0  0  0  0
    5.7680    3.2976    4.7089 O   0  0  0  0  0
    5.8079    3.6842    2.4316 C   0  0  0  0  0
    6.7110    4.7511    2.4895 C   0  0  0  0  0
    6.7430    5.7043    1.4652 C   0  0  0  0  0
    5.8793    5.6162    0.3600 C   0  0  0  0  0
    5.0129    4.5197    0.2993 C   0  0  0  0  0
    4.9318    3.5968    1.3497 C   0  0  0  0  0
    5.9394    6.5707   -0.6844 N   0  0  0  0  0
    4.8142    7.5740   -0.7803 C   0  0  0  0  0
    3.4328    6.9850   -1.1275 C   0  0  0  0  0
    2.5231    6.6589    0.0580 C   0  0  0  0  0
    2.4698    7.6796    1.0955 N   0  0  0  0  0
    3.8010    8.1116    1.5139 C   0  0  0  0  0
    4.7635    8.5696    0.4039 C   0  0  0  0  0
    4.4165    9.9836   -0.0916 C   0  0  0  0  0
    1.5166    8.7406    0.8242 C   0  0  0  0  0
    7.1882    6.9141   -1.2877 C   0  0  0  0  0
    7.5681    8.2185   -1.6407 C   0  0  0  0  0
    8.8088    8.5035   -2.2322 C   0  0  0  0  0
    9.7156    7.4739   -2.4626 C   0  0  0  0  0
    9.3736    6.1686   -2.1192 C   0  0  0  0  0
    8.1275    5.8965   -1.5469 C   0  0  0  0  0
    9.0155    9.8277   -2.5150 O   0  0  0  0  0
   10.1103   10.1311   -3.3711 C   0  0  0  0  0
    7.3668   -0.3345    1.0425 H   0  0  0  0  0
    7.4239   -0.7202    2.7589 H   0  0  0  0  0
    7.9797    0.8695    2.1952 H   0  0  0  0  0
    5.0924   -0.1868    2.1536 H   0  0  0  0  0
    5.6311    1.2515    1.3215 H   0  0  0  0  0
    4.9568   -0.3596    4.4177 H   0  0  0  0  0
    4.7250    1.1346    5.3143 H   0  0  0  0  0
    7.4215   -0.2551    4.8822 H   0  0  0  0  0
    6.5045   -0.1418    6.3840 H   0  0  0  0  0
    7.2271    1.3096    5.6715 H   0  0  0  0  0
    7.3735    4.8601    3.3454 H   0  0  0  0  0
    7.4437    6.5337    1.5398 H   0  0  0  0  0
    4.3739    4.3788   -0.5666 H   0  0  0  0  0
    4.1673    2.8258    1.3143 H   0  0  0  0  0
    5.0303    8.1544   -1.6874 H   0  0  0  0  0
    3.5366    6.1092   -1.7781 H   0  0  0  0  0
    2.9022    7.7319   -1.7354 H   0  0  0  0  0
    1.5141    6.4433   -0.3177 H   0  0  0  0  0
    2.8286    5.7272    0.5350 H   0  0  0  0  0
    3.7157    8.8939    2.2793 H   0  0  0  0  0
    4.2618    7.2701    2.0454 H   0  0  0  0  0
    5.7602    8.6500    0.8573 H   0  0  0  0  0
    3.5535    9.9924   -0.7615 H   0  0  0  0  0
    5.2532   10.4089   -0.6548 H   0  0  0  0  0
    4.2136   10.6589    0.7459 H   0  0  0  0  0
    1.5269    9.4932    1.6200 H   0  0  0  0  0
    0.5008    8.3290    0.8058 H   0  0  0  0  0
    1.6815    9.2398   -0.1323 H   0  0  0  0  0
    6.9221    9.0656   -1.4464 H   0  0  0  0  0
   10.6942    7.6545   -2.8941 H   0  0  0  0  0
   10.0751    5.3574   -2.2950 H   0  0  0  0  0
    7.8874    4.8633   -1.3051 H   0  0  0  0  0
   10.0648   11.1991   -3.6055 H   0  0  0  0  0
   10.0412    9.5802   -4.3155 H   0  0  0  0  0
   11.0650    9.9405   -2.8706 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
 10 11  2  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 43  1  0  0  0
 13 44  1  0  0  0
 14 23  1  0  0  0
 14 15  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
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 16 17  1  0  0  0
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 17 18  1  0  0  0
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 18 19  1  0  0  0
 18 22  1  0  0  0
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 19 50  1  0  0  0
 19 51  1  0  0  0
 20 21  1  0  0  0
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 21 53  1  0  0  0
 21 54  1  0  0  0
 21 55  1  0  0  0
 22 56  1  0  0  0
 22 57  1  0  0  0
 22 58  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 59  1  0  0  0
 25 26  2  0  0  0
 25 29  1  0  0  0
 26 27  1  0  0  0
 26 60  1  0  0  0
 27 28  2  0  0  0
 27 61  1  0  0  0
 28 62  1  0  0  0
 29 30  1  0  0  0
 30 63  1  0  0  0
 30 64  1  0  0  0
 30 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL607065

>  <PubChem CID>
10525590

>  <Formula>
C25H35N3O2

>  <Molecular Weight>
409.574000

>  <IUPAC Name>
4-(N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-methoxyanilino)-N,N-diethylbenzamide

>  <XlogP>
4.800

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN(CC)C(=O)C1=CC=C(C=C1)N(C2CCN(CC2C)C)C3=CC(=CC=C3)OC

>  <Isomeric SMILES>
CCN(CC)C(=O)C1=CC=C(C=C1)N([C@@H]2CCN(C[C@@H]2C)C)C3=CC(=CC=C3)OC

>  <InChI Std. ID>
InChI=1S/C25H35N3O2/c1-6-27(7-2)25(29)20-11-13-21(14-12-20)28(22-9-8-10-23(17-22)30-5)24-15-16-26(4)18-19(24)3/h8-14,17,19,24H,6-7,15-16,18H2,1-5H3/t19-,24+/m0/s1

>  <InChI Key>
BNEAXOWTFLKGSP-YADARESESA-N

