COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK334790
Chemical Name: (4S,7S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenyl-7-(thiophen-2-yl)-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Smiles: COc1cc(cc(c1O)[N+](=O)[O-])[C@H]1C2=C(C[C@@H](CC2=O)c2cccs2)Nc2c1c(=O)n([nH]2)c1ccccc1

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Molecular Weight: 530.56
Empirical Formula: C27H22N4O6S

Physical State: Dry powder
Available Amount: 511 mg

Lipinsky:
logP: 3.114
Rotatable bonds: 2
H-donors: 3
H-acceptors: 6
PSA: 164
Number of rings: 6

     

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