General Information of the Compound
| Compound ID |
CP0571169
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclohexyl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33N3O3
|
||||||||||||||||||
| Molecular Weight |
447.579
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C1(CCCCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33N3O3/c1-32-23-10-8-22(9-11-23)27(12-3-2-4-13-27)26(31)30-14-15-33-19-20(18-30)16-21-6-5-7-25-24(21)17-28-29-25/h5-11,17,20H,2-4,12-16,18-19H2,1H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UJFBHTPXHIYRGU-UHFFFAOYSA-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 | |||||||||||||||||||
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