
 BMS-694153

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M  END

>  <Chemical Name>
BMS-694153

>  <PubChem CID>
44593666

>  <Formula>
C35H45FN8O3

>  <Molecular Weight>
644.796000

>  <IUPAC Name>
4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C2C(=CC(=C1)CC(C(=O)N3CCC(CC3)N4CCCCC4)NC(=O)N5CCC(CC5)N6CC7=C(C(=CC=C7)F)NC6=O)C=NN2

>  <Isomeric SMILES>
CC1=C2C(=CC(=C1)C[C@H](C(=O)N3CCC(CC3)N4CCCCC4)NC(=O)N5CCC(CC5)N6CC7=C(C(=CC=C7)F)NC6=O)C=NN2

>  <InChI Std. ID>
InChI=1S/C35H45FN8O3/c1-23-18-24(19-26-21-37-40-31(23)26)20-30(33(45)42-14-8-27(9-15-42)41-12-3-2-4-13-41)38-34(46)43-16-10-28(11-17-43)44-22-25-6-5-7-29(36)32(25)39-35(44)47/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,40)(H,38,46)(H,39,47)/t30-/m1/s1

>  <InChI Key>
HBOINTMVWRSZQS-SSEXGKCCSA-N

