COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538699
Chemical Name: methyl2-({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c(c2)OC)OC)sc2c1CCCCCCCCCC2

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Molecular Weight: 544.74
Empirical Formula: C28H36N2O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 10.104
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 146
Number of rings: 3

     

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