General Information of the Compound
Compound ID
CP0455522
Compound Name
1-(4-phenoxy-3-propan-2-yloxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione
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Structure
Formula
C24H21N3O5
Molecular Weight
431.448
Canonical SMILES
CC(C)Oc1cc(ccc1Oc1ccccc1)-n1c(=O)[nH]c(=O)n(-c2ccccc2)c1=O
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InChI
InChI=1S/C24H21N3O5/c1-16(2)31-21-15-18(13-14-20(21)32-19-11-7-4-8-12-19)27-23(29)25-22(28)26(24(27)30)17-9-5-3-6-10-17/h3-16H,1-2H3,(H,25,28,29)
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InChIKey
PBVOOPRLAZWVOD-UHFFFAOYSA-N
Physicochemical Property
logP
3.2562
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
95.32
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
32

"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: 139434035
ChEMBL ID
CHEMBL4472787
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: PT01390, BDNF/NT-3 growth factors receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 370 nM
   TI
   LI
   LO
   TS
Protein ID: PT00934, High affinity nerve growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 360 nM
   TI
   LI
   LO
   TS
Protein ID: PT00936, NT-3 growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 330 nM
   TI
   LI
   LO
   TS