General Information of the Compound
| Compound ID |
CP0905358
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID121285511
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33N7O
|
||||||||||||||||||
| Molecular Weight |
495.631
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1nnnc1C(c1cccc2ccccc12)N1CCC2(CC1)C(=O)NCN2c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33N7O/c1-2-3-18-36-27(31-32-33-36)26(25-15-9-11-22-10-7-8-14-24(22)25)34-19-16-29(17-20-34)28(37)30-21-35(29)23-12-5-4-6-13-23/h4-15,26H,2-3,16-21H2,1H3,(H,30,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGGDGMUERYFVIA-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