General Information of the Compound
| Compound ID |
CP0953356
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ethyl 2-amino-6-chloro-7-hydroxy-4-(pyridin-3-yl)-4H-chromene-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15ClN2O4
|
||||||||||||||||||
| Molecular Weight |
346.77
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C1=C(N)Oc2cc(O)c(Cl)cc2C1c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15ClN2O4/c1-2-23-17(22)15-14(9-4-3-5-20-8-9)10-6-11(18)12(21)7-13(10)24-16(15)19/h3-8,14,21H,2,19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXPQTMGHWJKZHL-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