
 CHEMBL1762707

 83 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1762707

>  <PubChem CID>
54580026

>  <Formula>
C31H39Cl3N8O2

>  <Molecular Weight>
662.057000

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

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CN(CCN1CC(=O)N(CCCN2CCOCC2)CC3=C(C=NC=C3Cl)Cl)C4=NC(=NC=C4)NCCC5=CC=C(C=C5)Cl

>  <Isomeric SMILES>
C1CN(CCN1CC(=O)N(CCCN2CCOCC2)CC3=C(C=NC=C3Cl)Cl)C4=NC(=NC=C4)NCCC5=CC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C31H39Cl3N8O2/c32-25-4-2-24(3-5-25)6-8-36-31-37-9-7-29(38-31)41-14-12-40(13-15-41)23-30(43)42(11-1-10-39-16-18-44-19-17-39)22-26-27(33)20-35-21-28(26)34/h2-5,7,9,20-21H,1,6,8,10-19,22-23H2,(H,36,37,38)

>  <InChI Key>
AHWHUDJTTAKVFD-UHFFFAOYSA-N

