COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK457604
Chemical Name: methyl6-[({2-[2-(1,3-benzodioxol-5-yloxy)propanoyl]hydrazinyl}carbonothioyl)amino]-3-chloro-1-benzothiophene-2-carboxylate
Smiles: COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=S)NNC(=O)C(Oc1ccc2c(c1)OCO2)C

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Molecular Weight: 507.98
Empirical Formula: C21H18ClN3O6S2

Physical State: Dry powder
Available Amount: 631 mg

Lipinsky:
logP: 5.058
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 167
Number of rings: 4

     

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