General Information of the Compound
| Compound ID |
CP0517992
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[6-[4-(1-methylpiperidin-4-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H37N5O2
|
||||||||||||||||||
| Molecular Weight |
487.648
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(CC1)c1ccc(cc1)C(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H37N5O2/c1-32-12-7-22(8-13-32)21-2-4-23(5-3-21)27(35)33-14-9-29(10-15-33)16-26(29)18-31-28(36)34-19-24-6-11-30-17-25(24)20-34/h2-6,11,17,22,26H,7-10,12-16,18-20H2,1H3,(H,31,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NYQBMXCFNZAXOA-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