General Information of the Compound
| Compound ID |
CP0353683
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
cyclopropyl-[4-[6-fluoro-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31FN4O3
|
||||||||||||||||||
| Molecular Weight |
466.557
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2ncc(C(=O)N3CCN(CC3)C(=O)C3CC3)c(N3CCC4(CCCO4)CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31FN4O3/c27-19-4-5-22-20(16-19)23(29-9-7-26(8-10-29)6-1-15-34-26)21(17-28-22)25(33)31-13-11-30(12-14-31)24(32)18-2-3-18/h4-5,16-18H,1-3,6-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CYWKJQIHRUXIPI-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