General Information of the Compound
| Compound ID |
CP0546405
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H45N5O5
|
||||||||||||||||||
| Molecular Weight |
579.742
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)N1CC2(COC2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H45N5O5/c1-40-27-11-8-12-28(41-2)30(27)26-18-25(34-37(26)24-9-4-5-10-24)31(39)33-23(13-16-35-14-6-3-7-15-35)17-29(38)36-19-32(20-36)21-42-22-32/h8,11-12,18,23-24H,3-7,9-10,13-17,19-22H2,1-2H3,(H,33,39)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OOKDKMPQCBMCCM-QHCPKHFHSA-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