General Information of the Compound
| Compound ID |
CP0543077
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10022354, Example 5
Show/Hide
|
||||||||||||||||||
| Synonyms |
BDBM281065
CHEMBL4062756
SCHEMBL17682496
US10022354, Example 5
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27N5O2
|
||||||||||||||||||
| Molecular Weight |
369.469
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)C(=O)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27N5O2/c1-12(2)16-10-18(23-22-16)20(27)25-7-6-14(11-25)17-9-15(8-13(3)21-17)19(26)24(4)5/h8-10,12,14H,6-7,11H2,1-5H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YAVZAMCCDJRPBX-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 | |||||||||||||||||||
| 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
Clinical Information about the Compound