COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK207207
Chemical Name: ethyl4-({[3,3-dimethyl-11-(4-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]carbonothioyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=S)N1c2ccccc2NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C

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Molecular Weight: 570.67
Empirical Formula: C31H30N4O5S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 5.925
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 148
Number of rings: 5

     

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