COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL297348
Chemical Name: N-benzyl-2-[({[5-(2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)nnc1c1ccccc1O

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Molecular Weight: 559.71
Empirical Formula: C29H29N5O3S2

Physical State: Dry powder
Available Amount: 927 mg

Lipinsky:
logP: 8.609
Rotatable bonds: 9
H-donors: 3
H-acceptors: 3
PSA: 162
Number of rings: 5

     

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