
 CHEMBL525092

 74 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL525092

>  <PubChem CID>
44587188

>  <Formula>
C30H34N4O5S

>  <Molecular Weight>
562.685000

>  <IUPAC Name>
2-[(2R)-1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[(4R)-7-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)(C)NCC1=CC2=C(C=C1)C(CCO2)NC(=O)CC3C(=O)NC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5

>  <Isomeric SMILES>
CC(C)(C)NCC1=CC2=C(C=C1)[C@@H](CCO2)NC(=O)C[C@@H]3C(=O)NC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H34N4O5S/c1-30(2,3)31-19-20-13-14-22-23(15-16-39-27(22)17-20)32-28(35)18-26-29(36)33-24-11-7-8-12-25(24)34(26)40(37,38)21-9-5-4-6-10-21/h4-14,17,23,26,31H,15-16,18-19H2,1-3H3,(H,32,35)(H,33,36)/t23-,26-/m1/s1

>  <InChI Key>
CHQXHFLJVYXJOZ-ZEQKJWHPSA-N

