COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL010786
Chemical Name: (3aS,6R)-2-(5-methoxy-1,3-benzothiazol-2-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
Smiles: COc1ccc2c(c1)nc(s2)N1CC23C(C1=O)C(C(O3)C=C2)C(=O)O

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Molecular Weight: 358.37
Empirical Formula: C17H14N2O5S

Physical State: Dry powder
Available Amount: 1010 mg

Lipinsky:
logP: 1.338
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 5

     

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