
 CHEMBL15855

 66 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL15855

>  <PubChem CID>
9824884

>  <Formula>
C26H33N5O2

>  <Molecular Weight>
447.583000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCC(CC3)C4=CNC5=CC=CC=C54)OC

>  <Isomeric SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCC(CC3)C4=CNC5=CC=CC=C54)OC

>  <InChI Std. ID>
InChI=1S/C26H33N5O2/c1-29-13-15-30(16-14-29)24-17-20(7-8-25(24)33-2)28-26(32)31-11-9-19(10-12-31)22-18-27-23-6-4-3-5-21(22)23/h3-8,17-19,27H,9-16H2,1-2H3,(H,28,32)

>  <InChI Key>
RATYOZVXDGPQTC-UHFFFAOYSA-N

