General Information of the Compound
| Compound ID |
CP0563031
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-(prop-2-ynylcarbamoyl)benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25N3O4
|
||||||||||||||||||
| Molecular Weight |
467.525
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCC#C)c3ccc(cc3oc2c1)=[N+](C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25N3O4/c1-6-13-29-27(32)17-7-10-20(23(14-17)28(33)34)26-21-11-8-18(30(2)3)15-24(21)35-25-16-19(31(4)5)9-12-22(25)26/h1,7-12,14-16H,13H2,2-5H3,(H-,29,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DYDBZMFMNBGTIP-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