
 CHEMBL508349

 83 89  0  0  0  0  0  0  0  0999 V2000
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    3.9108    3.6101    3.9675 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL508349

>  <PubChem CID>
11512851

>  <Formula>
C35H37N7O4

>  <Molecular Weight>
619.726000

>  <IUPAC Name>
[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C2C(=CC(=C1)CC(C(=O)N3CCN(CC3)C4=CC=NC=C4)OC(=O)N5CCC(CC5)C6=CC7=CC=CC=C7NC6=O)C=NN2

>  <Isomeric SMILES>
CC1=C2C(=CC(=C1)C[C@H](C(=O)N3CCN(CC3)C4=CC=NC=C4)OC(=O)N5CCC(CC5)C6=CC7=CC=CC=C7NC6=O)C=NN2

>  <InChI Std. ID>
InChI=1S/C35H37N7O4/c1-23-18-24(19-27-22-37-39-32(23)27)20-31(34(44)41-16-14-40(15-17-41)28-6-10-36-11-7-28)46-35(45)42-12-8-25(9-13-42)29-21-26-4-2-3-5-30(26)38-33(29)43/h2-7,10-11,18-19,21-22,25,31H,8-9,12-17,20H2,1H3,(H,37,39)(H,38,43)/t31-/m1/s1

>  <InChI Key>
CNDMPYBCNMZLDY-WJOKGBTCSA-N

