COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455895
Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinecarbothioamide
Smiles: COc1cc(CCNC(=S)NNC(=O)C(n2nc(c(c2)[N+](=O)[O-])OC)C)ccc1OC

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Molecular Weight: 452.49
Empirical Formula: C18H24N6O6S

Physical State: Dry powder
Available Amount: 595 mg

Lipinsky:
logP: 1.853
Rotatable bonds: 9
H-donors: 3
H-acceptors: 6
PSA: 176
Number of rings: 2

     

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