General Information of the Compound
| Compound ID |
CP0638712
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,3R)-3-acetamido-N-(5-chloro-4-(5-(4-hydroxybutyl)-1H-pyrazol-4-yl)pyridin-2-yl)cyclohexanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H28ClN5O3
|
||||||||||||||||||
| Molecular Weight |
433.94
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cn[nH]c3CCCCO)c(Cl)cn2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28ClN5O3/c1-13(29)25-15-6-4-5-14(9-15)21(30)26-20-10-16(18(22)12-23-20)17-11-24-27-19(17)7-2-3-8-28/h10-12,14-15,28H,2-9H2,1H3,(H,24,27)(H,25,29)(H,23,26,30)/t14-,15+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZFPAKGNEMHQAH-LSDHHAIUSA-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