COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK605297
Chemical Name: N-[(2Z)-5-[(E)-1-cyano-2-{3,5-dichloro-2-[(4-chlorobenzyl)oxy]phenyl}ethenyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: N#C/C(=C\c1cc(Cl)cc(c1OCc1ccc(cc1)Cl)Cl)/c1n[nH]/c(=N/C(=O)c2ccccc2)/s1

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Molecular Weight: 541.84
Empirical Formula: C25H15Cl3N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.999
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 112
Number of rings: 4

     

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