General Information of the Compound
| Compound ID |
CP0517712
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(4S,5R)-2,5-dihydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24N4O4
|
||||||||||||||||||
| Molecular Weight |
408.458
|
||||||||||||||||||
| Canonical SMILES |
Cc1cnc(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CC(O)OC[C@@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24N4O4/c1-14-12-23-19(22(29)25-18-11-21(28)30-13-20(18)27)10-16(14)9-15-3-5-17(6-4-15)26-8-2-7-24-26/h2-8,10,12,18,20-21,27-28H,9,11,13H2,1H3,(H,25,29)/t18-,20-,21?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZFQJZCLZWSFFDX-WZENJKSDSA-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