COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK953504
Chemical Name: ethyl5-({(1E)-3-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl]-1-hydroxyprop-1-en-2-yl}amino)-1-(4-methylbenzyl)-1H-pyrazole-4-carboxylate
Smiles: CCOC(=O)c1cnn(c1N/C(=C/O)/CSc1cc(C)c(c2n1c1ccccc1n2)C#N)Cc1ccc(cc1)C

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Molecular Weight: 552.66
Empirical Formula: C30H28N6O3S

Physical State: Dry powder
Available Amount: 91 mg

Lipinsky:
logP: 8.014
Rotatable bonds: 8
H-donors: 2
H-acceptors: 3
PSA: 142
Number of rings: 5

     

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