COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK480596
Chemical Name: ethyl2-{[({5-[(2,3-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)nnc1COc1cccc(c1C)C

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Molecular Weight: 554.73
Empirical Formula: C28H34N4O4S2

Physical State: Liquid
Available Amount: 5 mg

Lipinsky:
logP: 8.402
Rotatable bonds: 11
H-donors: 1
H-acceptors: 4
PSA: 148
Number of rings: 4

     

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