COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143082
Chemical Name: 3,3-dimethyl-11-(4-nitrophenyl)-10-pentanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCCCC(=O)N1C(c2ccc(cc2)[N+](=O)[O-])C2=C(Nc3c1cccc3)CC(CC2=O)(C)C

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Molecular Weight: 447.53
Empirical Formula: C26H29N3O4

Physical State: Dry powder
Available Amount: 157 mg

Lipinsky:
logP: 5.168
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 4

     

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