COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL174242
Chemical Name: 2-({(Z)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)-1,3-benzothiazol-6-ylthiocyanate
Smiles: N#CSc1ccc2c(c1)sc(n2)N/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)C

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Molecular Weight: 435.49
Empirical Formula: C20H13N5O3S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.561
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 168
Number of rings: 4

     

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