General Information of the Compound
| Compound ID |
CP0454420
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[3-[(Isopropylamino)methyl]-5-(trifluoromethyl)-phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H31F3N4O3
|
||||||||||||||||||
| Molecular Weight |
552.597
|
||||||||||||||||||
| Canonical SMILES |
CC(C)NCc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc5NC(=O)CCc45)cc3C2)cc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H31F3N4O3/c1-17(2)35-16-18-11-22(30(31,32)33)15-23(12-18)36-29(39)20-4-3-19-5-6-24(14-21(19)13-20)40-26-9-10-34-28-25(26)7-8-27(38)37-28/h5-6,9-12,14-15,17,20,35H,3-4,7-8,13,16H2,1-2H3,(H,36,39)(H,34,37,38)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMAPDDXWMUJZRU-FQEVSTJZSA-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