General Information of the Compound
| Compound ID |
CP0168060
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-(2-(1-(2-(4-benzoylpiperazin-1-yl)ethyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32F3N5O3
|
||||||||||||||||||
| Molecular Weight |
531.579
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32F3N5O3/c28-27(29,30)22-8-4-7-21(17-22)25(37)31-18-24(36)32-23-9-10-34(19-23)12-11-33-13-15-35(16-14-33)26(38)20-5-2-1-3-6-20/h1-8,17,23H,9-16,18-19H2,(H,31,37)(H,32,36)/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SLAGVDVFVOTFNB-HSZRJFAPSA-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
Protein ID: PT01021, C-C chemokine receptor type 2
Cell Viability or Cytotoxicity Assay