General Information of the Compound
| Compound ID |
CP0865590
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID121285025
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31N7O
|
||||||||||||||||||
| Molecular Weight |
481.604
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1nnnc1C(c1cccc2ccccc12)N1CCC(n2c(O)nc3ccccc32)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N7O/c1-2-3-17-34-27(30-31-32-34)26(23-12-8-10-20-9-4-5-11-22(20)23)33-18-15-21(16-19-33)35-25-14-7-6-13-24(25)29-28(35)36/h4-14,21,26H,2-3,15-19H2,1H3,(H,29,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DVYODBNJMHKPPS-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