General Information of the Compound
Compound ID
CP0537014
Compound Name
1-(3-methyl-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione
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Structure
Formula
C22H17N3O4
Molecular Weight
387.395
Canonical SMILES
Cc1cc(ccc1Oc1ccccc1)-n1c(=O)[nH]c(=O)n(-c2ccccc2)c1=O
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InChI
InChI=1S/C22H17N3O4/c1-15-14-17(12-13-19(15)29-18-10-6-3-7-11-18)25-21(27)23-20(26)24(22(25)28)16-8-4-2-5-9-16/h2-14H,1H3,(H,23,26,27)
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InChIKey
REYFGVMCUDWCML-UHFFFAOYSA-N
Physicochemical Property
logP
2.77742
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
86.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 139434107
ChEMBL ID
CHEMBL4464037
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 = 390 nM
   TI
   LI
   LO
   TS
Protein ID: PT01091, Fibroblast growth factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 290 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 = 340 nM
   TI
   LI
   LO
   TS
Protein ID: PT01104, Insulin-like growth factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 250 nM
   TI
   LI
   LO
   TS