General Information of the Compound
| Compound ID |
CP0378265
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1834791
Show/Hide
|
||||||||||||||||||
| Formula |
C26H31F3N6O
|
||||||||||||||||||
| Molecular Weight |
500.569
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cn1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31F3N6O/c1-16-3-4-18(12-30-16)17-5-8-21(9-6-17)35-14-20(15-35)32-24(36)13-31-25-22-11-19(26(27,28)29)7-10-23(22)34(2)33-25/h3-4,7,10-12,17,20-21H,5-6,8-9,13-15H2,1-2H3,(H,31,33)(H,32,36)/t17-,21+
Show/Hide
|
||||||||||||||||||
| InChIKey |
BJIIFQCSJMKUPV-UEDWGHLCSA-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