
 CHEMBL341175

 87 91  0  0  0  0  0  0  0  0999 V2000
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   10.3841    5.7796   -5.3816 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL341175

>  <PubChem CID>
10897645

>  <Formula>
C36H41Cl2N5O3

>  <Molecular Weight>
662.656000

>  <IUPAC Name>
1-[(3S)-4-[(3-cyanonaphthalene-1-carbonyl)-methylamino]-3-(3,4-dichlorophenyl)butyl]-N,N-dimethyl-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)C(=O)C1(CCN(CC1)CCC(CN(C)C(=O)C2=CC(=CC3=CC=CC=C32)C#N)C4=CC(=C(C=C4)Cl)Cl)N5CCCCC5=O

>  <Isomeric SMILES>
CN(C)C(=O)C1(CCN(CC1)CC[C@H](CN(C)C(=O)C2=CC(=CC3=CC=CC=C32)C#N)C4=CC(=C(C=C4)Cl)Cl)N5CCCCC5=O

>  <InChI Std. ID>
InChI=1S/C36H41Cl2N5O3/c1-40(2)35(46)36(43-16-7-6-10-33(43)44)14-18-42(19-15-36)17-13-28(26-11-12-31(37)32(38)22-26)24-41(3)34(45)30-21-25(23-39)20-27-8-4-5-9-29(27)30/h4-5,8-9,11-12,20-22,28H,6-7,10,13-19,24H2,1-3H3/t28-/m1/s1

>  <InChI Key>
KJEKADQOLIQZIA-MUUNZHRXSA-N

