COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK612421
Chemical Name: 4-[2-(3-nitrophenyl)-2-oxoethyl]-2-(propan-2-yl)-1,4-benzoxazepine-3,5(2H,4H)-dione
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])CN1C(=O)C(Oc2c(C1=O)cccc2)C(C)C

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Molecular Weight: 382.37
Empirical Formula: C20H18N2O6

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 2.285
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 109
Number of rings: 3

     

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