General Information of the Compound
| Compound ID |
CP0921392
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2a-[4-(1,4,6,7-Tetrahydro-pyrazolo[4,3-c]pyridin-5-yl)-butyl]-2a,3,4,5-tetrahydro-1H-benzo[cd]indol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N4O
|
||||||||||||||||||
| Molecular Weight |
350.466
|
||||||||||||||||||
| Canonical SMILES |
O=C1Nc2cccc3c2C1(CCCCN1CCc2n[nH]cc2C1)CCC3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N4O/c26-20-21(10-4-6-15-5-3-7-18(23-20)19(15)21)9-1-2-11-25-12-8-17-16(14-25)13-22-24-17/h3,5,7,13H,1-2,4,6,8-12,14H2,(H,22,24)(H,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTLYDCLNWRVYQW-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