COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456142
Chemical Name: ethyl2-[({2-[2-(4-methyl-2-nitrophenoxy)propanoyl]hydrazinyl}carbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NNC(=O)C(Oc2ccc(cc2[N+](=O)[O-])C)C)sc2c1CCCCC2

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Molecular Weight: 520.63
Empirical Formula: C23H28N4O6S2

Physical State: Dry powder
Available Amount: 411 mg

Lipinsky:
logP: 7.096
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 194
Number of rings: 3

     

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