General Information of the Compound
| Compound ID |
CP0902982
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-((1R,3r,5S)-3-(1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxamido)-8-azabicyclo[3.2.1]octan-8-yl)pentane-1-sulfonic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C25H35N3O5S
|
||||||||||||||||||
| Molecular Weight |
489.638
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3CCCCCS(=O)(=O)O)cc2ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H35N3O5S/c1-17(2)28-23-9-5-4-8-18(23)14-22(25(28)30)24(29)26-19-15-20-10-11-21(16-19)27(20)12-6-3-7-13-34(31,32)33/h4-5,8-9,14,17,19-21H,3,6-7,10-13,15-16H2,1-2H3,(H,26,29)(H,31,32,33)/t19-,20+,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CWNXKWOEVNGXOO-WKCHPHFGSA-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