General Information of the Compound
| Compound ID |
CP0562866
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29F3N6O2
|
||||||||||||||||||
| Molecular Weight |
514.552
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29F3N6O2/c1-16(36)33-8-5-23-21(14-33)25(31-35(23)19-6-9-37-15-19)34-7-3-4-17-10-20(18-12-30-32(2)13-18)22(11-24(17)34)26(27,28)29/h10-13,19H,3-9,14-15H2,1-2H3/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BPGFXHXXEIUDSE-IBGZPJMESA-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