
 CHEMBL279646

 63 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL279646

>  <PubChem CID>
10647243

>  <Formula>
C25H30FN5O2

>  <Molecular Weight>
451.546000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCC(C3)C4=CNC5=C4C=C(C=C5)F)OC

>  <Isomeric SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCC(C3)C4=CNC5=C4C=C(C=C5)F)OC

>  <InChI Std. ID>
InChI=1S/C25H30FN5O2/c1-29-9-11-30(12-10-29)23-14-19(4-6-24(23)33-2)28-25(32)31-8-7-17(16-31)21-15-27-22-5-3-18(26)13-20(21)22/h3-6,13-15,17,27H,7-12,16H2,1-2H3,(H,28,32)

>  <InChI Key>
BMVCAMBJKNURKZ-UHFFFAOYSA-N

