
 CHEMBL2035943

 70 74  0  0  0  0  0  0  0  0999 V2000
    0.8716   -0.8770    5.1788 C   0  0  0  0  0
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    8.8108    3.6010   -3.4022 Cl  0  0  0  0  0
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    4.2153    0.2680   -5.7322 H   0  0  0  0  0
    4.5051   -2.0207   -8.3339 H   0  0  0  0  0
    2.7228   -2.5679   -9.9506 H   0  0  0  0  0
    0.3562   -2.0434   -9.4265 H   0  0  0  0  0
   -0.2263   -0.9695   -7.2665 H   0  0  0  0  0
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    5.0770    3.6161    0.2178 H   0  0  0  0  0
    6.6054    3.1367   -1.6629 H   0  0  0  0  0
   10.5635    4.8170   -1.5106 H   0  0  0  0  0
   10.2605    5.3253    0.8947 H   0  0  0  0  0
    8.1354    4.7685    2.0267 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
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 34 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2035943

>  <PubChem CID>
70688111

>  <Formula>
C28H35ClN4O2

>  <Molecular Weight>
495.064000

>  <IUPAC Name>
(3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-[(3-chlorophenyl)methyl]-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1CN2CC(C(C2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)C(=O)NCC5=CC(=CC=C5)Cl

>  <Isomeric SMILES>
C1CC1CN2C[C@@H]([C@@H](C2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)C(=O)NCC5=CC(=CC=C5)Cl

>  <InChI Std. ID>
InChI=1S/C28H35ClN4O2/c29-23-8-4-7-22(13-23)14-30-27(34)25-18-33(16-21-9-10-21)19-26(25)28(35)31-24-11-12-32(17-24)15-20-5-2-1-3-6-20/h1-8,13,21,24-26H,9-12,14-19H2,(H,30,34)(H,31,35)/t24?,25-,26+/m0/s1

>  <InChI Key>
ACNAIGITXKGCML-XBCLTQTASA-N

