COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472711
Chemical Name: propan-2-yl2-{[(2E)-3-{4-[(3-chlorobenzyl)oxy]phenyl}-2-cyanoprop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(cc1)OCc1cccc(c1)Cl)/C(=O)Nc1sccc1C(=O)OC(C)C

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Molecular Weight: 480.97
Empirical Formula: C25H21ClN2O4S

Physical State: Dry powder
Available Amount: 410 mg

Lipinsky:
logP: 7.869
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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