COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK594448
Chemical Name: 4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1c(OC)cc(cc1OC)c1n[nH]c(=S)n1/N=C/c1c(F)cccc1Cl

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Molecular Weight: 422.87
Empirical Formula: C18H16ClFN4O3S

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 2.501
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 99
Number of rings: 3

     

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