General Information of the Compound
| Compound ID |
CP0567061
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9133168, Example 31b
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N4O4
|
||||||||||||||||||
| Molecular Weight |
384.436
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOC(CO)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N4O4/c1-13-8-14-4-2-3-5-16(14)24(13)20(27)9-17-21-18(10-19(26)22-17)23-6-7-28-15(11-23)12-25/h2-5,10,13,15,25H,6-9,11-12H2,1H3,(H,21,22,26)/t13-,15?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CVYNDVPEEURJCK-CFMCSPIPSA-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