COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK106315
Chemical Name: 4-{(1E)-1-[2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenylacetate
Smiles: O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)N/N=C(/c1ccc(cc1)OC(=O)C)\C

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Molecular Weight: 555.7
Empirical Formula: C31H33N5O3S

Physical State: Dry powder
Available Amount: 410 mg

Lipinsky:
logP: 7.942
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 123
Number of rings: 4

     

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