COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868343
Chemical Name: 3,3-dimethyl-11-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCC(=O)N1C(c2ccc(o2)c2ccc(cc2C)[N+](=O)[O-])C2=C(Nc3c1cccc3)CC(CC2=O)(C)C

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Molecular Weight: 499.57
Empirical Formula: C29H29N3O5

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.401
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 108
Number of rings: 5

     

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