General Information of the Compound
Compound ID
CP0573796
Compound Name
4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
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Structure
Formula
C20H25BrN4O
Molecular Weight
417.351
Canonical SMILES
CCN(C)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Br)C(C)C
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InChI
InChI=1S/C20H25BrN4O/c1-6-24(5)17-9-13(4)22-20-19(17)23-18(26)11-25(20)16-8-7-14(12(2)3)10-15(16)21/h7-10,12H,6,11H2,1-5H3,(H,23,26)
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InChIKey
KZTUDHOMEDPIIR-UHFFFAOYSA-N
Physicochemical Property
logP
4.82222
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
48.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 122193722
ChEMBL ID
CHEMBL3628742
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: PT01588, Corticotropin-releasing factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 16.4 nM
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