General Information of the Compound
| Compound ID |
CP0411768
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[4-[(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonylamino)methyl]piperidin-1-yl]methyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N3O4
|
||||||||||||||||||
| Molecular Weight |
447.535
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N3O4/c30-24(23-21-4-1-2-5-22(21)29-12-3-15-33-25(23)29)27-16-18-10-13-28(14-11-18)17-19-6-8-20(9-7-19)26(31)32/h1-2,4-9,18H,3,10-17H2,(H,27,30)(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QRQLJIWKYKQABQ-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