
 CHEMBL424575

 62 64  0  0  0  0  0  0  0  0999 V2000
    0.7921    3.2038    0.7095 C   0  0  0  0  0
    2.2942    3.1987    0.4769 C   0  0  0  0  0
    2.9869    2.0886    1.2726 C   0  0  0  0  0
    4.4965    2.0340    1.0054 C   0  0  0  0  0
    5.2264    3.3150    1.3942 C   0  0  0  0  0
    6.6228    2.9248    1.6388 N   0  0  0  0  0
    6.5091    1.6136    2.3079 C   0  0  0  0  0
    5.2173    0.9399    1.8143 C   0  0  0  0  0
    5.4690   -0.2970    0.9458 C   0  0  0  0  0
    6.1244   -1.3666    1.6655 N   0  0  0  0  0
    5.4516   -2.3857    2.2951 C   0  0  0  0  0
    4.2259   -2.4624    2.3091 O   0  0  0  0  0
    6.2851   -3.4547    2.9405 C   0  0  0  0  0
    5.6295   -4.6611    3.2242 C   0  0  0  0  0
    6.3281   -5.7320    3.7828 C   0  0  0  0  0
    7.6959   -5.6319    4.1070 C   0  0  0  0  0
    8.3393   -4.4194    3.8112 C   0  0  0  0  0
    7.6582   -3.3318    3.2336 C   0  0  0  0  0
    8.2672   -2.1352    2.9419 O   0  0  0  0  0
    9.6873   -2.0697    3.0219 C   0  0  0  0  0
    8.3909   -6.7555    4.5681 N   0  0  0  0  0
    9.7278   -6.6699    5.1165 C   0  0  0  0  0
    5.4592   -7.2033    4.0733 Cl  0  0  0  0  0
    7.4361    2.8193    0.4135 C   0  0  0  0  0
    7.7464    4.1134   -0.3189 C   0  0  0  0  0
    7.5139    5.3866    0.2194 C   0  0  0  0  0
    7.8042    6.5385   -0.5166 C   0  0  0  0  0
    8.3690    6.4351   -1.7856 C   0  0  0  0  0
    8.6485    5.1802   -2.3189 C   0  0  0  0  0
    8.3384    4.0292   -1.5919 C   0  0  0  0  0
    0.3268    4.0214    0.1497 H   0  0  0  0  0
    0.5597    3.3438    1.7699 H   0  0  0  0  0
    0.3404    2.2640    0.3775 H   0  0  0  0  0
    2.6932    4.1775    0.7657 H   0  0  0  0  0
    2.4932    3.0698   -0.5932 H   0  0  0  0  0
    2.5421    1.1208    1.0102 H   0  0  0  0  0
    2.8023    2.2415    2.3435 H   0  0  0  0  0
    4.6466    1.8601   -0.0691 H   0  0  0  0  0
    4.8171    3.7254    2.3266 H   0  0  0  0  0
    5.1114    4.0919    0.6326 H   0  0  0  0  0
    7.4061    0.9949    2.1929 H   0  0  0  0  0
    6.4127    1.8027    3.3851 H   0  0  0  0  0
    4.6221    0.6477    2.6895 H   0  0  0  0  0
    6.1139   -0.0557    0.0942 H   0  0  0  0  0
    4.5197   -0.6710    0.5460 H   0  0  0  0  0
    7.1352   -1.3494    1.7522 H   0  0  0  0  0
    4.5733   -4.7747    2.9855 H   0  0  0  0  0
    9.3942   -4.3312    4.0407 H   0  0  0  0  0
   10.1569   -2.8474    2.4105 H   0  0  0  0  0
   10.0227   -2.1211    4.0624 H   0  0  0  0  0
    9.9967   -1.1010    2.6181 H   0  0  0  0  0
    7.7774   -7.4204    5.0402 H   0  0  0  0  0
   10.4499   -6.3808    4.3458 H   0  0  0  0  0
   10.0295   -7.6537    5.4897 H   0  0  0  0  0
    9.7768   -5.9631    5.9507 H   0  0  0  0  0
    6.9756    2.1249   -0.2997 H   0  0  0  0  0
    8.4123    2.3980    0.6896 H   0  0  0  0  0
    7.0905    5.4943    1.2154 H   0  0  0  0  0
    7.5895    7.5170   -0.0951 H   0  0  0  0  0
    8.5976    7.3322   -2.3545 H   0  0  0  0  0
    9.1061    5.0959   -3.3010 H   0  0  0  0  0
    8.5648    3.0572   -2.0253 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  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  9 10  1  0  0  0
  9 44  1  0  0  0
  9 45  1  0  0  0
 10 11  1  0  0  0
 10 46  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
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 14 15  1  0  0  0
 14 47  1  0  0  0
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 15 23  1  0  0  0
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 17 18  2  0  0  0
 17 48  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 20 49  1  0  0  0
 20 50  1  0  0  0
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 21 22  1  0  0  0
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 24 25  1  0  0  0
 24 56  1  0  0  0
 24 57  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 58  1  0  0  0
 27 28  2  0  0  0
 27 59  1  0  0  0
 28 29  1  0  0  0
 28 60  1  0  0  0
 29 30  2  0  0  0
 29 61  1  0  0  0
 30 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL424575

>  <PubChem CID>
44380770

>  <Formula>
C24H32ClN3O2

>  <Molecular Weight>
429.989000

>  <IUPAC Name>
N-[[(3S,4S)-1-benzyl-4-propylpyrrolidin-3-yl]methyl]-5-chloro-2-methoxy-4-(methylamino)benzamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCC1CN(CC1CNC(=O)C2=CC(=C(C=C2OC)NC)Cl)CC3=CC=CC=C3

>  <Isomeric SMILES>
CCC[C@@H]1CN(C[C@@H]1CNC(=O)C2=CC(=C(C=C2OC)NC)Cl)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C24H32ClN3O2/c1-4-8-18-15-28(14-17-9-6-5-7-10-17)16-19(18)13-27-24(29)20-11-21(25)22(26-2)12-23(20)30-3/h5-7,9-12,18-19,26H,4,8,13-16H2,1-3H3,(H,27,29)/t18-,19+/m1/s1

>  <InChI Key>
FPHFICIJDHPAHE-MOPGFXCFSA-N

