COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL317434
Chemical Name: methyl2-(5-amino-1,3,6-trioxo-3,3a,11b,11c-tetrahydro-6H-chromeno[4',3':4,5]thiopyrano[2,3-c]pyrrol-2(1H)-yl)benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1C(=C(S2)N)C(=O)Oc2c1cccc2

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Saltdata: HCl
Molecular Weight: 436.44
Empirical Formula: C22H16N2O6S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.66
Rotatable bonds: 2
H-donors: 2
H-acceptors: 6
PSA: 141
Number of rings: 5

     

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