COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK439969
Chemical Name: methyl5-benzyl-2-({(2E)-3-[1-(2-chlorobenzyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoyl}amino)thiophene-3-carboxylate
Smiles: N#C/C(=C\c1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccccc1Cl)/C(=O)Nc1sc(cc1C(=O)OC)Cc1ccccc1

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Molecular Weight: 653.16
Empirical Formula: C35H29ClN4O5S

Physical State: Dry powder
Available Amount: 781 mg

Lipinsky:
logP: 8.335
Rotatable bonds: 10
H-donors: 1
H-acceptors: 5
PSA: 143
Number of rings: 5

     

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