General Information of the Compound
| Compound ID |
CP0546409
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(2S)-1-(1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylbutan-2-yl]pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H38N6O4
|
||||||||||||||||||
| Molecular Weight |
522.65
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)Cc1nnco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H38N6O4/c1-36-24-11-8-12-25(37-2)27(24)23-18-22(32-34(23)21-9-4-5-10-21)28(35)30-20(17-26-31-29-19-38-26)13-16-33-14-6-3-7-15-33/h8,11-12,18-21H,3-7,9-10,13-17H2,1-2H3,(H,30,35)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FWFOGXHEHZPKPX-FQEVSTJZSA-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