COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK858018
Chemical Name: dimethyl2-{[(2-chloro-4-nitrophenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Smiles: COC(=O)c1c(NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])sc2c1C(CC2)C(=O)OC

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Molecular Weight: 438.85
Empirical Formula: C18H15ClN2O7S

Physical State: Dry powder
Available Amount: 158 mg

Lipinsky:
logP: 4.421
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 155
Number of rings: 3

     

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