COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK516632
Chemical Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-[3-methoxy-4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCOc1ccc(cc1OC)C1N(c2nc3c(s2)cc(cc3)OC)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O

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Saltdata: 1/5CH3COOH
Molecular Weight: 616.69
Empirical Formula: C33H32N2O8S

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 7.08
Rotatable bonds: 11
H-donors: 1
H-acceptors: 8
PSA: 144
Number of rings: 6

     

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