General Information of the Compound
| Compound ID |
CP0499063
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1834780
Show/Hide
|
||||||||||||||||||
| Formula |
C24H29F6N5O3
|
||||||||||||||||||
| Molecular Weight |
549.516
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(CC(F)(F)F)c2ccc(cc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29F6N5O3/c1-2-38-22(37)14-3-6-17(7-4-14)34-11-16(12-34)32-20(36)10-31-21-18-9-15(24(28,29)30)5-8-19(18)35(33-21)13-23(25,26)27/h5,8-9,14,16-17H,2-4,6-7,10-13H2,1H3,(H,31,33)(H,32,36)/t14-,17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDJZCKOOSFAVKN-KDYLLFBJSA-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 | |||||||||||||||||||
| 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