General Information of the Compound
| Compound ID |
CP0407580
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl}piperazin-1-yl)quino-line-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27N5O3
|
||||||||||||||||||
| Molecular Weight |
469.545
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C(N)=O)COc3ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27N5O3/c1-17-2-5-21-23(29-17)7-8-24-26(21)35-20(16-34-24)15-31-10-12-32(13-11-31)25-9-4-18-14-19(27(28)33)3-6-22(18)30-25/h2-9,14,20H,10-13,15-16H2,1H3,(H2,28,33)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XLBQSSZFTNCULY-FQEVSTJZSA-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