COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK575041
Chemical Name: 3-nitro-6,12-dioxo-4b,6,7,8a,9,10,10a,10b,11,12-decahydro-9,11-methano-13-oxa-5,8-dithia-7-azabenzo[4,5]cycloocta[1,2,3-cd]-s-indacene-14-carboxylicacid
Smiles: O=C1Oc2ccc(cc2C2C3C4C1C(C(=O)O)C(C4)C3Sc1c2sc(=O)[nH]1)[N+](=O)[O-]

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Molecular Weight: 446.46
Empirical Formula: C19H14N2O7S2

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 3.167
Rotatable bonds: 2
H-donors: 2
H-acceptors: 7
PSA: 189
Number of rings: 6

     

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