COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK522811
Chemical Name: methyl2-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]phenyl}-2-cyanoprop-2-enoyl]amino}benzoate
Smiles: N#C/C(=C\c1ccc(cc1)OCc1ccc(cc1)Cl)/C(=O)Nc1ccccc1C(=O)OC

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Molecular Weight: 446.89
Empirical Formula: C25H19ClN2O4

Physical State: Dry powder
Available Amount: 230 mg

Lipinsky:
logP: 6.678
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 3

     

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