
 CHEMBL315496

 70 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL315496

>  <PubChem CID>
10744240

>  <Formula>
C27H33FN6O3

>  <Molecular Weight>
508.598000

>  <IUPAC Name>
4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-3-N,3-N-dimethylquinoline-3,8-dicarboxamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CN(C)C(=O)C1=CN=C2C(=C1NCCCN3CCN(CC3)C4=C(C=C(C=C4)F)OC)C=CC=C2C(=O)N

>  <Isomeric SMILES>
CN(C)C(=O)C1=CN=C2C(=C1NCCCN3CCN(CC3)C4=C(C=C(C=C4)F)OC)C=CC=C2C(=O)N

>  <InChI Std. ID>
InChI=1S/C27H33FN6O3/c1-32(2)27(36)21-17-31-24-19(6-4-7-20(24)26(29)35)25(21)30-10-5-11-33-12-14-34(15-13-33)22-9-8-18(28)16-23(22)37-3/h4,6-9,16-17H,5,10-15H2,1-3H3,(H2,29,35)(H,30,31)

>  <InChI Key>
KUHDDXGXESLIIG-UHFFFAOYSA-N

