COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372378
Chemical Name: 2-({(E)-[1-(3-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(N/C=C/2\C(=O)NC(=S)N(C2=O)c2cccc(c2)C)sc2c1CCCC2

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Molecular Weight: 422.53
Empirical Formula: C21H18N4O2S2

Physical State: Dry powder
Available Amount: 195 mg

Lipinsky:
logP: 4.225
Rotatable bonds: 0
H-donors: 2
H-acceptors: 2
PSA: 145
Number of rings: 4

     

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