General Information of the Compound
| Compound ID |
CP0577099
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-10-[[5-chloro-2-[(3S,5R)-3-(dimethylamino)-5-methylpiperidin-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 |
C28H34ClF2N7O2
|
||||||||||||||||||
| Molecular Weight |
574.076
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1C[C@@H](CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34ClF2N7O2/c1-15-9-18(36(2)3)13-38(12-15)27-32-11-20(29)25(35-27)33-17-7-8-21-19(10-17)22-23(26(39)37(21)4)40-14-28(30,31)24(34-22)16-5-6-16/h7-8,10-11,15-16,18,24,34H,5-6,9,12-14H2,1-4H3,(H,32,33,35)/t15-,18+,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPQGUGFUKNXBFU-SKDDIYDISA-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