
 CHEMBL556481

 64 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL556481

>  <PubChem CID>
45273317

>  <Formula>
C30H27ClN4O2

>  <Molecular Weight>
511.022000

>  <IUPAC Name>
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-phenyl-2-pyridin-2-ylacetamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=N4)Cl)C(=O)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=N4)Cl)C(=O)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H27ClN4O2/c31-25-21-24(33-29(36)28(22-9-3-1-4-10-22)26-13-7-8-16-32-26)14-15-27(25)34-17-19-35(20-18-34)30(37)23-11-5-2-6-12-23/h1-16,21,28H,17-20H2,(H,33,36)

>  <InChI Key>
BNJXSFJMBRDNIJ-UHFFFAOYSA-N

