General Information of the Compound
| Compound ID |
CP0882448
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID103060529
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N2O2
|
||||||||||||||||||
| Molecular Weight |
426.56
|
||||||||||||||||||
| Canonical SMILES |
CC1(C(=O)NCc2cccc3ccccc23)CCN1C(=O)C1(c2ccccc2)CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N2O2/c1-27(25(31)29-20-22-12-9-11-21-10-5-6-15-24(21)22)18-19-30(27)26(32)28(16-7-8-17-28)23-13-3-2-4-14-23/h2-6,9-15H,7-8,16-20H2,1H3,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OVQJEKJVVFXEKN-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