COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL396444
Chemical Name: methyl2-[({1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)c2ccn(n2)Cn2ncc(c2)Br)sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 520.45
Empirical Formula: C22H26BrN5O3S

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 6.398
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 119
Number of rings: 4

     

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