COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL448711
Chemical Name: (3E)-3-[(2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrol-3-yl)methylidene]-1-ethyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Smiles: CCN1c2ccc(cc2/C(=C\c2cc(n(c2C)c2ccc(cc2)Sc2ccc(cc2)[N+](=O)[O-])C)/C1=O)S(=O)(=O)N1CCOCC1

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Molecular Weight: 644.77
Empirical Formula: C33H32N4O6S2

Physical State: Dry powder
Available Amount: 33 mg

Lipinsky:
logP: 6.662
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 151
Number of rings: 6

     

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