COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK522812
Chemical Name: methyl2-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyanoprop-2-enoyl]amino}benzoate
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1)Cl)/C(=O)Nc1ccccc1C(=O)OC

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Molecular Weight: 476.92
Empirical Formula: C26H21ClN2O5

Physical State: Dry powder
Available Amount: 224 mg

Lipinsky:
logP: 6.56
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 97
Number of rings: 3

     

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