
 CHEMBL1762700

 73 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1762700

>  <PubChem CID>
54581018

>  <Formula>
C30H31Cl3N8O

>  <Molecular Weight>
625.983000

>  <IUPAC Name>
2-[4-[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]-N-[(3,5-dichloropyridin-4-yl)methyl]-N-(pyridin-4-ylmethyl)acetamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CN(CCN1CC(=O)N(CC2=CC=NC=C2)CC3=C(C=NC=C3Cl)Cl)C4=NC(=NC=C4)NCCC5=CC=C(C=C5)Cl

>  <Isomeric SMILES>
C1CN(CCN1CC(=O)N(CC2=CC=NC=C2)CC3=C(C=NC=C3Cl)Cl)C4=NC(=NC=C4)NCCC5=CC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C30H31Cl3N8O/c31-24-3-1-22(2-4-24)7-11-36-30-37-12-8-28(38-30)40-15-13-39(14-16-40)21-29(42)41(19-23-5-9-34-10-6-23)20-25-26(32)17-35-18-27(25)33/h1-6,8-10,12,17-18H,7,11,13-16,19-21H2,(H,36,37,38)

>  <InChI Key>
SIDDLPPKYXYJJX-UHFFFAOYSA-N

