COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK535236
Chemical Name: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-({4-chloro-2-[(3,4,5-trimethoxyphenyl)carbonyl]phenyl}amino)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C(=O)c1cc(OC)c(c(c1)OC)OC)Cl)/c1scc(n1)c1ccc2c(c1)OCO2

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Molecular Weight: 576.03
Empirical Formula: C29H22ClN3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.562
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 140
Number of rings: 5

     

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