General Information of the Compound
| Compound ID |
CP0559992
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(cyclohexylamino)ethyl]-5-pyridin-3-yl-1H-indole-4,7-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23N3O2
|
||||||||||||||||||
| Molecular Weight |
349.434
|
||||||||||||||||||
| Canonical SMILES |
O=C1C=C(C(=O)c2c(CCNC3CCCCC3)c[nH]c12)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N3O2/c25-18-11-17(14-5-4-9-22-12-14)21(26)19-15(13-24-20(18)19)8-10-23-16-6-2-1-3-7-16/h4-5,9,11-13,16,23-24H,1-3,6-8,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
IVBIHPIVLAKRIR-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