General Information of the Compound
Compound ID
CP0386195
Compound Name
N-butyl-9H-pyrido[2,3-b]indol-4-amine
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Structure
Formula
C15H17N3
Molecular Weight
239.322
Canonical SMILES
CCCCNc1ccnc2[nH]c3ccccc3c12
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InChI
InChI=1S/C15H17N3/c1-2-3-9-16-13-8-10-17-15-14(13)11-6-4-5-7-12(11)18-15/h4-8,10H,2-3,9H2,1H3,(H2,16,17,18)
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InChIKey
PKSQERPOGFWGEL-UHFFFAOYSA-N
Physicochemical Property
logP
3.9281
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 44580633
ChEMBL ID
CHEMBL494934
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: PT02463, Urotensin-2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 79.43 nM
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