General Information of the Compound
Compound ID
CP0526740
Compound Name
N-cyclohexyl-5H-pyrido[4,3-b]indol-1-amine
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Structure
Formula
C17H19N3
Molecular Weight
265.36
Canonical SMILES
C1CCC(CC1)Nc1nccc2[nH]c3ccccc3c12
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InChI
InChI=1S/C17H19N3/c1-2-6-12(7-3-1)19-17-16-13-8-4-5-9-14(13)20-15(16)10-11-18-17/h4-5,8-12,20H,1-3,6-7H2,(H,18,19)
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InChIKey
KQCOOFQMYJSORJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.4607
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 44580516
ChEMBL ID
CHEMBL524805
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 > 7943.28 nM
   TI
   LI
   LO
   TS