COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK129930
Chemical Name: 3-(5-oxo-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl4-nitrobenzoate
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Oc1cccc(c1)C1Sc2ccccc2NC2=C1C(=O)c1c2cccc1

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Molecular Weight: 506.54
Empirical Formula: C29H18N2O5S

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 6.769
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 126
Number of rings: 6

     

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