General Information of the Compound
| Compound ID |
CP0558854
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H35F2N7O3S
|
||||||||||||||||||
| Molecular Weight |
587.697
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCc2c(C1)c(nn2C1CCN(CC1)S(C)(=O)=O)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H35F2N7O3S/c1-18(38)34-10-8-25-24(17-34)28(32-37(25)21-6-11-35(12-7-21)41(3,39)40)36-9-4-5-19-13-22(20-15-31-33(2)16-20)23(27(29)30)14-26(19)36/h13-16,21,27H,4-12,17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PLNZFWUVRPZNHG-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 | |||||||||||||||||||
| 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