COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK598461
Chemical Name: 13-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
Smiles: COc1cc2c(cc1OC)CCN1C2=CC(c2ccc(o2)c2nc3c(s2)cccc3)C2=C1CC(CC2=O)(C)C

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Molecular Weight: 538.67
Empirical Formula: C32H30N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.753
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 93
Number of rings: 7

     

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