General Information of the Compound
| Compound ID |
CP0580074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-10-[[5-chloro-2-[(3R)-3-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27ClF2N6O3
|
||||||||||||||||||
| Molecular Weight |
532.979
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC[C@@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27ClF2N6O3/c1-33-18-7-6-14(30-22-17(26)10-29-24(32-22)34-8-2-3-15(35)11-34)9-16(18)19-20(23(33)36)37-12-25(27,28)21(31-19)13-4-5-13/h6-7,9-10,13,15,21,31,35H,2-5,8,11-12H2,1H3,(H,29,30,32)/t15-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JUMCUPDSIABGSG-VFNWGFHPSA-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 | |||||||||||||||||||
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