
 CHEMBL2336418

 92 98  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2336418

>  <PubChem CID>
71569375

>  <Formula>
C35H45ClN8O3

>  <Molecular Weight>
661.248000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=C(C2=C1NN=C2)Cl)CC(C(=O)N3CCC(CC3)N4CCCCC4)NC(=O)N5CCC(CC5)N6CC7=CC=CC=C7NC6=O

>  <Isomeric SMILES>
CC1=CC(=C(C2=C1NN=C2)Cl)C[C@H](C(=O)N3CCC(CC3)N4CCCCC4)NC(=O)N5CCC(CC5)N6CC7=CC=CC=C7NC6=O

>  <InChI Std. ID>
InChI=1S/C35H45ClN8O3/c1-23-19-25(31(36)28-21-37-40-32(23)28)20-30(33(45)42-15-9-26(10-16-42)41-13-5-2-6-14-41)39-34(46)43-17-11-27(12-18-43)44-22-24-7-3-4-8-29(24)38-35(44)47/h3-4,7-8,19,21,26-27,30H,2,5-6,9-18,20,22H2,1H3,(H,37,40)(H,38,47)(H,39,46)/t30-/m1/s1

>  <InChI Key>
AOBPSENKFBJNAZ-SSEXGKCCSA-N

