General Information of the Compound
| Compound ID |
CP0397645
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2204251
Show/Hide
|
||||||||||||||||||
| Formula |
C27H33F3N4O4
|
||||||||||||||||||
| Molecular Weight |
534.579
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33F3N4O4/c1-17(2)38-24-7-6-20(13-31-24)26(37)10-8-22(9-11-26)34-15-21(16-34)33-23(35)14-32-25(36)18-4-3-5-19(12-18)27(28,29)30/h3-7,12-13,17,21-22,37H,8-11,14-16H2,1-2H3,(H,32,36)(H,33,35)/t22-,26-
Show/Hide
|
||||||||||||||||||
| InChIKey |
UJROOJDBGFVVCM-PGWJBFNOSA-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