General Information of the Compound
| Compound ID |
CP0554599
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-propan-2-yl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28F2N6O3
|
||||||||||||||||||
| Molecular Weight |
510.545
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CC[C@H](NC(=O)c2cc(on2)-c2ccc(F)cc2F)[C@H](C1)C(=O)NC1(CC1)c1ncccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28F2N6O3/c1-15(2)34-11-6-20(18(14-34)23(35)32-26(7-8-26)25-29-9-3-10-30-25)31-24(36)21-13-22(37-33-21)17-5-4-16(27)12-19(17)28/h3-5,9-10,12-13,15,18,20H,6-8,11,14H2,1-2H3,(H,31,36)(H,32,35)/t18-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NBOHWLCEOZCLMI-ICSRJNTNSA-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: PT04108, Atypical chemokine receptor 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2