COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148163
Chemical Name: 2-methoxy-4-{(1E)-1-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenolate
Smiles: COc1cc(cc(c1OC)OC)c1n[nH+]c(n1c1ccccc1)SCC(=O)N/N=C(/c1ccc(c(c1)OC)[O-])\C

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Molecular Weight: 563.63
Empirical Formula: C28H29N5O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.985
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 158
Number of rings: 4

     

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