General Information of the Compound
| Compound ID |
CP0891771
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID121284986
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29N7O2
|
||||||||||||||||||
| Molecular Weight |
495.587
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C(c2nnnn2Cc2ccccc2)N2CCC(n3c(O)nc4ccccc43)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N7O2/c1-37-23-13-11-21(12-14-23)26(27-30-31-32-34(27)19-20-7-3-2-4-8-20)33-17-15-22(16-18-33)35-25-10-6-5-9-24(25)29-28(35)36/h2-14,22,26H,15-19H2,1H3,(H,29,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATUVMDJXURYCAD-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: PT06124, Paired box protein Pax-8