General Information of the Compound
| Compound ID |
CP0909629
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID103060170
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24N4O4
|
||||||||||||||||||
| Molecular Weight |
468.513
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1ccc(-c2cnc3c(NC=O)cc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24N4O4/c1-18(33)19-2-6-21(7-3-19)25-15-28-26-24(29-17-32)14-23(16-31(25)26)20-4-8-22(9-5-20)27(34)30-10-12-35-13-11-30/h2-9,14-17H,10-13H2,1H3,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SDEASRHGIAICAE-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3