General Information of the Compound
Compound ID
CP0376713
Compound Name
6-chloro-5-methyl-N-[2-(2-methylpyridin-3-yl)oxypyrimidin-5-yl]-2,3-dihydroindole-1-carboxamide
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Structure
Formula
C20H18ClN5O2
Molecular Weight
395.85
Canonical SMILES
Cc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)nc3)c2cc1Cl
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InChI
InChI=1S/C20H18ClN5O2/c1-12-8-14-5-7-26(17(14)9-16(12)21)20(27)25-15-10-23-19(24-11-15)28-18-4-3-6-22-13(18)2/h3-4,6,8-11H,5,7H2,1-2H3,(H,25,27)
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InChIKey
RVJAKPBOJZUTJG-UHFFFAOYSA-N
Physicochemical Property
logP
4.52874
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
80.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 44298209
ChEMBL ID
CHEMBL53113
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 630.96 nM
   TI
   LI
   LO
   TS
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 63.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 3.162 nM
   TI
   LI
   LO
   TS