COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK478510
Chemical Name: methyl2-{[({5-[(3,4-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)OC)CCCCC3)nnc1COc1ccc(c(c1)C)C

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Molecular Weight: 540.71
Empirical Formula: C27H32N4O4S2

Physical State: Dry powder
Available Amount: 711 mg

Lipinsky:
logP: 7.87
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 148
Number of rings: 4

     

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