
 CHEMBL1762697

 62 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1762697

>  <PubChem CID>
54584942

>  <Formula>
C23H31ClN6O

>  <Molecular Weight>
442.992000

>  <IUPAC Name>
2-[4-[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCN(CC1)C(=O)CN2CCN(CC2)C3=NC(=NC=C3)NCCC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CCN(CC1)C(=O)CN2CCN(CC2)C3=NC(=NC=C3)NCCC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C23H31ClN6O/c24-20-6-4-19(5-7-20)8-10-25-23-26-11-9-21(27-23)29-16-14-28(15-17-29)18-22(31)30-12-2-1-3-13-30/h4-7,9,11H,1-3,8,10,12-18H2,(H,25,26,27)

>  <InChI Key>
UGDOVVZYCODAOQ-UHFFFAOYSA-N

