COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472860
Chemical Name: 3-{(1E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxoprop-1-en-1-yl}phenyl4-chlorobenzoate
Smiles: N#C/C(=C\c1cccc(c1)OC(=O)c1ccc(cc1)Cl)/C(=O)Nc1sccc1C#N

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Molecular Weight: 433.87
Empirical Formula: C22H12ClN3O3S

Physical State: Dry powder
Available Amount: 207 mg

Lipinsky:
logP: 5.444
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 131
Number of rings: 3

     

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