COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043743
Chemical Name: ethyl4-({[1-hydroxy-3,3-dimethyl-11-(3-nitrophenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]carbonothioyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=S)N1c2ccccc2N=C2C(=C(O)CC(C2)(C)C)C1c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 570.67
Empirical Formula: C31H30N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.788
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 152
Number of rings: 5

     

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