General Information of the Compound
Compound ID
CP0527966
Compound Name
N-(2-methoxyethyl)-9H-pyrido[2,3-b]indol-4-amine
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Structure
Formula
C14H15N3O
Molecular Weight
241.294
Canonical SMILES
COCCNc1ccnc2[nH]c3ccccc3c12
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InChI
InChI=1S/C14H15N3O/c1-18-9-8-15-12-6-7-16-14-13(12)10-4-2-3-5-11(10)17-14/h2-7H,8-9H2,1H3,(H2,15,16,17)
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InChIKey
XASQUIVBTHALBV-UHFFFAOYSA-N
Physicochemical Property
logP
2.7744
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
49.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 44580634
ChEMBL ID
CHEMBL495920
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 = 316.23 nM
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