COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK195841
Chemical Name: 2-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylicacid
Smiles: S=C1NC(=O)/C(=C\c2cc(n(c2C)c2sc3c(c2C(=O)O)CCCC3)C)/C(=O)N1C

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Molecular Weight: 443.55
Empirical Formula: C21H21N3O4S2

Physical State: Dry powder
Available Amount: 343 mg

Lipinsky:
logP: 4.256
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 151
Number of rings: 4

     

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