COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK491557
Chemical Name: methyl2-[({2-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]hydrazinyl}carbonothioyl)amino]-5-ethylthiophene-3-carboxylate
Smiles: COC(=O)c1cc(sc1NC(=S)NNC(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])CC

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Molecular Weight: 498.99
Empirical Formula: C18H15ClN4O5S3

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 7.027
Rotatable bonds: 5
H-donors: 3
H-acceptors: 5
PSA: 213
Number of rings: 3

     

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