General Information of the Compound
| Compound ID |
CP0578196
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5094858
Show/Hide
|
||||||||||||||||||
| Formula |
C22H28N2O3
|
||||||||||||||||||
| Molecular Weight |
369.4831018
|
||||||||||||||||||
| Canonical SMILES |
[2H]c1cc(cc(c1)C(C)(C)C)[C@@H]1[C@H]2CN(C[C@@H]12)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28N2O3/c1-21(2,3)15-6-4-5-13(7-15)18-16-10-24(11-17(16)18)19(25)14-8-22(9-14)12-27-20(26)23-22/h4-7,14,16-18H,8-12H2,1-3H3,(H,23,26)/t14-,16-,17+,18+,22+/i4D
Show/Hide
|
||||||||||||||||||
| InChIKey |
SXKNGEVPPKXRRQ-RKZUMXTDSA-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 | |||||||||||||||||||
| 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