COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086423
Chemical Name: 4-{1-hydroxy-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1C(c2ccc(o2)c2cccc(c2)[N+](=O)[O-])C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

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Molecular Weight: 529.55
Empirical Formula: C29H27N3O7

Physical State: Dry powder
Available Amount: 333 mg

Lipinsky:
logP: 4.993
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 149
Number of rings: 5

     

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