General Information of the Compound
| Compound ID |
CP0569617
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26N6O3
|
||||||||||||||||||
| Molecular Weight |
434.5
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(CC(N)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26N6O3/c1-14-10-20(28-27-14)15-6-8-16(9-7-15)22(31)18-4-2-3-5-19(18)23(32)26-17-11-25-29(12-17)13-21(24)30/h6-12,18-19H,2-5,13H2,1H3,(H2,24,30)(H,26,32)(H,27,28)/t18-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NCWFLLYGAILYOK-RTBURBONSA-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