General Information of the Compound
| Compound ID |
CP0532743
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S,2S)-2-hydroxycyclohexyl]-6-(hydroxymethyl)-1-methyl-2-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N4O4
|
||||||||||||||||||
| Molecular Weight |
436.512
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(CO)c(Cc2ccc(cc2)-n2cccn2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N4O4/c1-27-21(15-29)17(13-16-7-9-18(10-8-16)28-12-4-11-25-28)14-19(24(27)32)23(31)26-20-5-2-3-6-22(20)30/h4,7-12,14,20,22,29-30H,2-3,5-6,13,15H2,1H3,(H,26,31)/t20-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWFVTSBQEDKWPA-UNMCSNQZSA-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