General Information of the Compound
| Compound ID |
CP0419603
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(1R)-2-[2-[4-[4-(3-aminopropoxy)anilino]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32N4O4
|
||||||||||||||||||
| Molecular Weight |
488.588
|
||||||||||||||||||
| Canonical SMILES |
NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32N4O4/c29-15-1-17-36-22-8-6-21(7-9-22)31-20-4-2-19(3-5-20)14-16-30-18-26(34)23-10-12-25(33)28-24(23)11-13-27(35)32-28/h2-13,26,30-31,33-34H,1,14-18,29H2,(H,32,35)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BXHILAZVUUWFPJ-SANMLTNESA-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