COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL062574
Chemical Name: 2-({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: COc1cc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCC3)ccc1OC

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Molecular Weight: 445.56
Empirical Formula: C21H23N3O4S2

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 5.378
Rotatable bonds: 5
H-donors: 4
H-acceptors: 4
PSA: 163
Number of rings: 3

     

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