COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560621
Chemical Name: 2-chloro-4-[(E)-2-cyano-2-{(5Z)-5-[(phenylcarbonyl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-yl}ethenyl]-6-methoxyphenyl4-methylbenzenesulfonate
Smiles: N#C/C(=C\c1cc(Cl)c(c(c1)OC)OS(=O)(=O)c1ccc(cc1)C)/c1n[nH]/c(=N/C(=O)c2ccccc2)/s1

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Molecular Weight: 567.05
Empirical Formula: C26H19ClN4O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.206
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 163
Number of rings: 4

     

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