General Information of the Compound
| Compound ID |
CP0392811
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-hydroxy-5-[(1R)-1-hydroxy-2-[2-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]phenyl]ethylamino]ethyl]-1H-quinolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29N3O4
|
||||||||||||||||||
| Molecular Weight |
459.546
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CNc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N3O4/c31-23-12-10-21(22-11-13-26(34)30-27(22)23)25(33)16-28-15-14-18-6-8-20(9-7-18)29-17-24(32)19-4-2-1-3-5-19/h1-13,24-25,28-29,31-33H,14-17H2,(H,30,34)/t24-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JPMRNEDMPONOSJ-DQEYMECFSA-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