COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052439
Chemical Name: 10-butanoyl-11-(4-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCCC(=O)N1C(c2ccc(cc2)[N+](=O)[O-])C2=C(Nc3c1cccc3)CCCC2=O

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Molecular Weight: 405.45
Empirical Formula: C23H23N3O4

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 3.603
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 4

     

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