General Information of the Compound
| Compound ID |
CP0255897
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-methoxyphenyl)-3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18N4O2
|
||||||||||||||||||
| Molecular Weight |
346.39
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1ncc2CCc3c([nH]c4CCNC(=O)c34)-c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N4O2/c1-26-13-5-2-11(3-6-13)19-22-10-12-4-7-14-16-15(8-9-21-20(16)25)23-18(14)17(12)24-19/h2-3,5-6,10,23H,4,7-9H2,1H3,(H,21,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RJYLNNKQMDZBDF-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