General Information of the Compound
| Compound ID |
CP0579070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-4-(4-butoxy-3,5-dimethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N2O4
|
||||||||||||||||||
| Molecular Weight |
430.504
|
||||||||||||||||||
| Canonical SMILES |
CCCCOc1c(OC)cc(cc1OC)C1C(C#N)=C(N)Oc2c1ccc1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N2O4/c1-4-5-12-31-25-21(29-2)13-17(14-22(25)30-3)23-19-11-10-16-8-6-7-9-18(16)24(19)32-26(28)20(23)15-27/h6-11,13-14,23H,4-5,12,28H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXYALBNZTFRWKJ-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 | |||||||||||||||||||
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