COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK467486
Chemical Name: methyl2-{[({5-[3-(dimethylamino)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate
Smiles: C=CCn1c(SCC(=O)Nc2scc(c2C(=O)OC)c2ccc(cc2)C)nnc1c1cccc(c1)N(C)C

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Molecular Weight: 547.7
Empirical Formula: C28H29N5O3S2

Physical State: Dry powder
Available Amount: 529 mg

Lipinsky:
logP: 7.375
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 142
Number of rings: 4

     

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