COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052897
Chemical Name: 4-{[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1cc(/C=N/n2c(=S)[nH]nc2c2[nH]nc3c2CCC3)c(c(c1)Br)O

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Molecular Weight: 484.17
Empirical Formula: C15H12Br2N6OS

Physical State: Dry powder
Available Amount: 235 mg

Lipinsky:
logP: 4.203
Rotatable bonds: 4
H-donors: 3
H-acceptors: 1
PSA: 120
Number of rings: 4

     

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