
 CHEMBL199274

 68 71  0  0  0  0  0  0  0  0999 V2000
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    2.7431   -0.0134   -0.0810 H   0  0  0  0  0
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    5.9789   -1.6574    0.2325 H   0  0  0  0  0
    4.3105   -3.4214    0.2631 H   0  0  0  0  0
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    2.0462   -2.7073    1.0916 H   0  0  0  0  0
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  1 40  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL199274

>  <PubChem CID>
10230947

>  <Formula>
C30H30Cl2N4O2

>  <Molecular Weight>
549.496000

>  <IUPAC Name>
N-[2-[4-(3-cyanophenyl)phenyl]ethyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide

>  <XlogP>
5.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(C1)CCC(=O)N(CCC2=CC=C(C=C2)C3=CC=CC(=C3)C#N)CC(=O)NC4=CC(=CC(=C4)Cl)Cl

>  <Isomeric SMILES>
C1CCN(C1)CCC(=O)N(CCC2=CC=C(C=C2)C3=CC=CC(=C3)C#N)CC(=O)NC4=CC(=CC(=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C30H30Cl2N4O2/c31-26-17-27(32)19-28(18-26)34-29(37)21-36(30(38)11-14-35-12-1-2-13-35)15-10-22-6-8-24(9-7-22)25-5-3-4-23(16-25)20-33/h3-9,16-19H,1-2,10-15,21H2,(H,34,37)

>  <InChI Key>
CXTHVJCJERWMRE-UHFFFAOYSA-N

