General Information of the Compound
Compound ID
CP0522049
Compound Name
3-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)pyrido[2,3-b]pyrazin-8-amine
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Structure
Formula
C19H10F6N6
Molecular Weight
436.319
Canonical SMILES
FC(F)(F)c1ccc(Nc2ccnc3nc(cnc23)-c2ncccc2C(F)(F)F)nc1
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InChI
InChI=1S/C19H10F6N6/c20-18(21,22)10-3-4-14(28-8-10)30-12-5-7-27-17-16(12)29-9-13(31-17)15-11(19(23,24)25)2-1-6-26-15/h1-9H,(H,27,28,30,31)
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InChIKey
VUYOFYXGESQXFL-UHFFFAOYSA-N
Physicochemical Property
logP
5.263
Rotatable Bonds
3
Heavy Atom Count
31
Polar Areas
76.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 46203867
SID: 96057966
ChEMBL ID
CHEMBL1214342
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 0.23 nM
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