COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL359486
Chemical Name: 2-({(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(N/C=C/2\C(=NN(C2=O)c2ccc(cc2)I)C)sc2c1CCCC2

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Molecular Weight: 488.35
Empirical Formula: C20H17IN4OS

Physical State: Dry powder
Available Amount: 663 mg

Lipinsky:
logP: 4.854
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 96
Number of rings: 4

     

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