General Information of the Compound
| Compound ID |
CP0860581
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((aminocarbonothioyl)hydrazono]methyl)-1,9,11,14-tetrahydroxy-7-methoxy-10-methyl-8,13-dioxo-5,6,8,13-tetrahydro-benzo[a]naphthacene-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H21N3O9S
|
||||||||||||||||||
| Molecular Weight |
563.544
|
||||||||||||||||||
| Canonical SMILES |
COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc(/C=N/N=C(/N)S)c(C(=O)O)c1O)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H21N3O9S/c1-8-13(31)6-12-17(20(8)32)24(36)19-18(21(12)33)23(35)16-11(25(19)39-2)4-3-9-5-10(7-29-30-27(28)40)15(26(37)38)22(34)14(9)16/h5-7,31-32,34-35H,3-4H2,1-2H3,(H,37,38)(H3,28,30,40)/b29-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVKAFEFTXONHLO-HBRQFSJYSA-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