General Information of the Compound
| Compound ID |
CP0956139
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Cis-3-chloro-N-((1R,3S)-3-(5-(1-(2-methoxyethyl)-4-methyl-1H-imidazol-5-yl)-4H-1,2,4-triazol-3-yl)cyclohexyl)-N-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29ClN6O2
|
||||||||||||||||||
| Molecular Weight |
456.978
|
||||||||||||||||||
| Canonical SMILES |
COCCn1cnc(C)c1-c1nnc([C@H]2CCC[C@@H](N(C)C(=O)c3cccc(Cl)c3)C2)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29ClN6O2/c1-15-20(30(14-25-15)10-11-32-3)22-26-21(27-28-22)16-6-5-9-19(13-16)29(2)23(31)17-7-4-8-18(24)12-17/h4,7-8,12,14,16,19H,5-6,9-11,13H2,1-3H3,(H,26,27,28)/t16-,19+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMRGLCZZAKTJCX-QFBILLFUSA-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