General Information of the Compound
| Compound ID |
CP0914484
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N2O5
|
||||||||||||||||||
| Molecular Weight |
354.362
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N2O5/c1-23-15-6-10(7-16(24-2)18(15)25-3)17-12-5-4-11(22)8-14(12)26-19(21)13(17)9-20/h4-8,17,22H,21H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWSVURCWPHWPRC-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase