General Information of the Compound
| Compound ID |
CP0476874
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(2-pyridin-2-ylethylamino)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25N5O2
|
||||||||||||||||||
| Molecular Weight |
439.519
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)[C@H](Cc1ccccc1)NCCc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25N5O2/c32-25-24(17-21(18-30-25)20-9-13-27-14-10-20)31-26(33)23(16-19-6-2-1-3-7-19)29-15-11-22-8-4-5-12-28-22/h1-10,12-14,17-18,23,29H,11,15-16H2,(H,30,32)(H,31,33)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DWRDAUZMBBZNJN-QHCPKHFHSA-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