General Information of the Compound
| Compound ID |
CP0197580
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)benzene-1,2,3-triol
Show/Hide
|
||||||||||||||||||
| Formula |
C20H18N2O3
|
||||||||||||||||||
| Molecular Weight |
334.375
|
||||||||||||||||||
| Canonical SMILES |
Oc1cc(\C=N\c2c3CCCCc3nc3ccccc23)cc(O)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N2O3/c23-17-9-12(10-18(24)20(17)25)11-21-19-13-5-1-3-7-15(13)22-16-8-4-2-6-14(16)19/h1,3,5,7,9-11,23-25H,2,4,6,8H2/b21-11+
Show/Hide
|
||||||||||||||||||
| InChIKey |
UPDJYWZNZKMPDX-SRZZPIQSSA-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