COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL297382
Chemical Name: 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1c1cc(Br)ccc1O

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Molecular Weight: 530.47
Empirical Formula: C22H20BrN5O2S2

Physical State: Dry powder
Available Amount: 512 mg

Lipinsky:
logP: 7.166
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 157
Number of rings: 4

     

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