
 CHEMBL2373197

 75 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2373197

>  <PubChem CID>
73345761

>  <Formula>
C31H36Cl2N4O2

>  <Molecular Weight>
567.555000

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

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

>  <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

>  <InChI Std. ID>
InChI=1S/C31H36Cl2N4O2/c1-35(30(38)27-9-4-7-22-6-2-3-8-26(22)27)21-24(23-10-11-28(32)29(33)20-23)12-17-36-18-13-25(14-19-36)37-16-5-15-34-31(37)39/h2-4,6-11,20,24-25H,5,12-19,21H2,1H3,(H,34,39)/t24-/m1/s1

>  <InChI Key>
LARXFZKZABEBQE-XMMPIXPASA-N

