COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK904042
Chemical Name: 4-[(3-fluoro-4-methylphenyl)carbonyl]-3-hydroxy-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: O=C(C1=C(O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1nnc(s1)SCc1cccc2c1cccc2)c1ccc(c(c1)F)C

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Saltdata: 2/3CH3COOH
Molecular Weight: 612.66
Empirical Formula: C31H21FN4O5S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.566
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 182
Number of rings: 6

     

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