General Information of the Compound
Compound ID
CP0379655
Compound Name
6-hydroxy-N-(3-phenylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
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Structure
Formula
C24H21N3O2
Molecular Weight
383.451
Canonical SMILES
Oc1ccc2[nH]c3CN(CCc3c2c1)C(=O)Nc1cccc(c1)-c1ccccc1
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InChI
InChI=1S/C24H21N3O2/c28-19-9-10-22-21(14-19)20-11-12-27(15-23(20)26-22)24(29)25-18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-10,13-14,26,28H,11-12,15H2,(H,25,29)
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InChIKey
ROTOWNTYVRPDBF-UHFFFAOYSA-N
Physicochemical Property
logP
5.1307
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
68.36
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 71517205
SID: 163509105
ChEMBL ID
CHEMBL2312053
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: PT02148, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 14760 nM
   TI
   LI
   LO
   TS
2
IC50 = 17030 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 2270 nM
   TI
   LI
   LO
   TS
2
IC50 = 1860 nM
   TI
   LI
   LO
   TS