
 CHEMBL130085

 82 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL130085

>  <PubChem CID>
10941325

>  <Formula>
C34H37Cl2N5O4

>  <Molecular Weight>
650.601000

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

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CNC(=O)C1(CCN(CC1)CCC(CN(C)C(=O)C2=CC(=CC3=CC=CC=C32)C#N)C4=CC(=C(C=C4)Cl)Cl)N5CCOCC5=O

>  <Isomeric SMILES>
CNC(=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)N5CCOCC5=O

>  <InChI Std. ID>
InChI=1S/C34H37Cl2N5O4/c1-38-33(44)34(41-15-16-45-22-31(41)42)10-13-40(14-11-34)12-9-26(24-7-8-29(35)30(36)19-24)21-39(2)32(43)28-18-23(20-37)17-25-5-3-4-6-27(25)28/h3-8,17-19,26H,9-16,21-22H2,1-2H3,(H,38,44)/t26-/m1/s1

>  <InChI Key>
DLHSSQJBIRRJJA-AREMUKBSSA-N

