General Information of the Compound
| Compound ID |
CP0451612
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-fluoroethyl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C23H19F5N4O
|
||||||||||||||||||
| Molecular Weight |
462.422
|
||||||||||||||||||
| Canonical SMILES |
FCCNC(=O)c1cccc2N(CCc12)c1cc(Cc2cc(F)cc(c2)C(F)(F)F)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19F5N4O/c24-5-6-29-22(33)19-2-1-3-20-18(19)4-7-32(20)21-12-17(30-13-31-21)10-14-8-15(23(26,27)28)11-16(25)9-14/h1-3,8-9,11-13H,4-7,10H2,(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WBBMLMAVCSMMIO-UHFFFAOYSA-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