
 CHEMBL340736

 76 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL340736

>  <PubChem CID>
11082526

>  <Formula>
C32H35Cl2N5O2

>  <Molecular Weight>
592.565000

>  <IUPAC Name>
3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CC(CCN1CCC(CC1)N2CCCNC2=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC5=CC=CC=C54)C#N

>  <Isomeric SMILES>
CN(C[C@@H](CCN1CCC(CC1)N2CCCNC2=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC5=CC=CC=C54)C#N

>  <InChI Std. ID>
InChI=1S/C32H35Cl2N5O2/c1-37(31(40)28-18-22(20-35)17-24-5-2-3-6-27(24)28)21-25(23-7-8-29(33)30(34)19-23)9-14-38-15-10-26(11-16-38)39-13-4-12-36-32(39)41/h2-3,5-8,17-19,25-26H,4,9-16,21H2,1H3,(H,36,41)/t25-/m1/s1

>  <InChI Key>
FYNNTLYLZICACB-RUZDIDTESA-N

