COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK952776
Chemical Name: ethyl2-{[(2E)-3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-cyanoprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C/c2c(C)nn(c2Cl)c2ccccc2)/C#N)sc2c1CCCC2

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Molecular Weight: 495
Empirical Formula: C25H23ClN4O3S

Physical State: Dry powder
Available Amount: 360 mg

Lipinsky:
logP: 8.048
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 125
Number of rings: 4

     

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