General Information of the Compound
| Compound ID |
CP0455899
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(1R)-2-[2-[4-[4-(4-aminobutoxy)anilino]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34N4O4
|
||||||||||||||||||
| Molecular Weight |
502.615
|
||||||||||||||||||
| Canonical SMILES |
NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34N4O4/c30-16-1-2-18-37-23-9-7-22(8-10-23)32-21-5-3-20(4-6-21)15-17-31-19-27(35)24-11-13-26(34)29-25(24)12-14-28(36)33-29/h3-14,27,31-32,34-35H,1-2,15-19,30H2,(H,33,36)/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OIDYEIRWMIDJOH-MHZLTWQESA-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