COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK783142
Chemical Name: 2-amino-1-(4-methoxyphenyl)-5-oxo-4-[4-(1H-1,2,4-triazol-1-ylmethyl)thiophen-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: COc1ccc(cc1)N1C(=C(C#N)C(C2=C1CCCC2=O)c1scc(c1)Cn1ncnc1)N

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Molecular Weight: 458.54
Empirical Formula: C24H22N6O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.175
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 138
Number of rings: 5

     

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