
 CHEMBL97333

 70 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL97333

>  <PubChem CID>
11071135

>  <Formula>
C29H33FN6O

>  <Molecular Weight>
500.622000

>  <IUPAC Name>
3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1-methylpyrrolidin-2-one

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCC(C1=O)CCN2CCC(CC2)C3=CN(C4=C3C=C(C=C4)C5=NN(C=N5)C)C6=CC=C(C=C6)F

>  <Isomeric SMILES>
CN1CCC(C1=O)CCN2CCC(CC2)C3=CN(C4=C3C=C(C=C4)C5=NN(C=N5)C)C6=CC=C(C=C6)F

>  <InChI Std. ID>
InChI=1S/C29H33FN6O/c1-33-13-9-21(29(33)37)12-16-35-14-10-20(11-15-35)26-18-36(24-6-4-23(30)5-7-24)27-8-3-22(17-25(26)27)28-31-19-34(2)32-28/h3-8,17-21H,9-16H2,1-2H3

>  <InChI Key>
NLEVDCFBQNJLSW-UHFFFAOYSA-N

