COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK161006
Chemical Name: {4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-chlorophenoxy}aceticacid
Smiles: N#CC1=C(C)/C(=C/c2ccc(c(c2)Cl)OCC(=O)O)/c2c1nc(N)c(c2C)C#N

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Molecular Weight: 406.83
Empirical Formula: C21H15ClN4O3

Physical State: Dry powder
Available Amount: 849 mg

Lipinsky:
logP: 5.221
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 133
Number of rings: 3

     

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