COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK440916
Chemical Name: propan-2-yl2-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CC(OC(=O)c1c(NC(=O)c2cc(ccc2Cl)[N+](=O)[O-])sc2c1CCCCC2)C

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Molecular Weight: 436.92
Empirical Formula: C20H21ClN2O5S

Physical State: Dry powder
Available Amount: 1357 mg

Lipinsky:
logP: 7.299
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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