General Information of the Compound
| Compound ID |
CP0447904
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2204256
Show/Hide
|
||||||||||||||||||
| Formula |
C23H28F3N5O3
|
||||||||||||||||||
| Molecular Weight |
479.503
|
||||||||||||||||||
| Canonical SMILES |
Cn1ccc(n1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28F3N5O3/c1-30-10-7-19(29-30)22(34)8-5-18(6-9-22)31-13-17(14-31)28-20(32)12-27-21(33)15-3-2-4-16(11-15)23(24,25)26/h2-4,7,10-11,17-18,34H,5-6,8-9,12-14H2,1H3,(H,27,33)(H,28,32)/t18-,22-
Show/Hide
|
||||||||||||||||||
| InChIKey |
OCQZFPBZUGAZNG-LBZQVFOQSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2