COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455896
Chemical Name: 2-({5-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]hydrazinecarbothioamide
Smiles: COc1ccc(cc1OC)CCNC(=S)NNC(=O)c1ccc(o1)Cn1nc(c(c1)Br)[N+](=O)[O-]

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Molecular Weight: 553.39
Empirical Formula: C20H21BrN6O6S

Physical State: Dry powder
Available Amount: 620 mg

Lipinsky:
logP: 1.99
Rotatable bonds: 9
H-donors: 3
H-acceptors: 6
PSA: 180
Number of rings: 3

     

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