General Information of the Compound
| Compound ID |
CP0462998
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-hydroxy-7-methoxy-2-[4-[(2-nitrophenyl)methyl]piperazine-1-carbonyl]chromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21N3O7
|
||||||||||||||||||
| Molecular Weight |
439.424
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(O)c2c(c1)oc(cc2=O)C(=O)N1CCN(Cc2ccccc2[N+]([O-])=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N3O7/c1-31-15-10-17(26)21-18(27)12-20(32-19(21)11-15)22(28)24-8-6-23(7-9-24)13-14-4-2-3-5-16(14)25(29)30/h2-5,10-12,26H,6-9,13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RDJNTAODAGIONH-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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1