General Information of the Compound
| Compound ID |
CP0405122
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-1-(7-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino)heptyl)piperidin-4-yl biphenyl-2-ylcarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H44N4O5
|
||||||||||||||||||
| Molecular Weight |
612.771
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CNCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H44N4O5/c41-32-17-15-29(30-16-18-34(43)39-35(30)32)33(42)25-37-21-9-2-1-3-10-22-40-23-19-27(20-24-40)45-36(44)38-31-14-8-7-13-28(31)26-11-5-4-6-12-26/h4-8,11-18,27,33,37,41-42H,1-3,9-10,19-25H2,(H,38,44)(H,39,43)/t33-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXDZFZWHYIWOHI-XIFFEERXSA-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