
 CHEMBL15837

 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL15837

>  <PubChem CID>
10530035

>  <Formula>
C29H39FN6O2

>  <Molecular Weight>
522.669000

>  <IUPAC Name>
4-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)F)OC

>  <Isomeric SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)F)OC

>  <InChI Std. ID>
InChI=1S/C29H39FN6O2/c1-33-11-15-35(16-12-33)27-20-24(7-9-28(27)38-2)32-29(37)36-17-13-34(14-18-36)10-4-3-5-22-21-31-26-8-6-23(30)19-25(22)26/h6-9,19-21,31H,3-5,10-18H2,1-2H3,(H,32,37)

>  <InChI Key>
RXGJIWBUJGUKEZ-UHFFFAOYSA-N

