General Information of the Compound
| Compound ID |
CP0851179
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ethyl 2-Amino-4-pyridin-3-yl-4H-benzo[h]chromene-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18N2O3
|
||||||||||||||||||
| Molecular Weight |
346.386
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C1=C(N)Oc2c(ccc3ccccc23)C1c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18N2O3/c1-2-25-21(24)18-17(14-7-5-11-23-12-14)16-10-9-13-6-3-4-8-15(13)19(16)26-20(18)22/h3-12,17H,2,22H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYKFLGSAVKFKDD-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