General Information of the Compound
Compound ID
CP0310616
Compound Name
2-Aryloxy-4-alkylaminopyridine, 3a
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Synonyms
175140-00-8
1Q5
2-Aryloxy-4-alkylaminopyridine, 3a
3,6-Dimethyl-N-(Pentan-3-Yl)-2-(2,4,6-Trimethylphenoxy)pyridin-4-Amine
4-Pyridinamine, N-(1-ethylpropyl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)-
4k5y
5113G7FP34
AKOS015994585
API0007847
BDBM20966
CHEMBL270948
CP 376,395
CP 376395
CP-376,395
CP-376395
CP376395
CS-7833
DTXSID0047298
GD-0065
GTPL3496
HY-14130
KB-76174
KS-00002WT7
MolPort-009-194-134
SCHEMBL123421
UNII-5113G7FP34
VIZBSVDBNLAVAW-UHFFFAOYSA-N
ZINC14975027
compound 3a [PMID: 18288792]
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Structure
Formula
C21H30N2O
Molecular Weight
326.484
Canonical SMILES
CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C
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InChI
InChI=1S/C21H30N2O/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3,(H,22,23)
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InChIKey
VIZBSVDBNLAVAW-UHFFFAOYSA-N
Physicochemical Property
logP
6.0165
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
34.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 9862166
SID: 14826464
ChEMBL ID
CHEMBL270948
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: PT03947, Corticotropin-releasing factor receptor 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000016 IMR-32
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 5.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( CP-376395 )
Drug Name CP-376395
Target(s)
Corticotropin-releasing factor receptor 1 (CRHR1)
 Target Info 
Inhibitor