General Information of the Compound
| Compound ID |
CP0922266
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,9,11,14-Tetrahydroxy-7-methoxy-10-methyl-8,13-dioxo-3-(phenoxythiocarbonyl-hydrazonomethyl)-5,6,8,13-tetrahydro-benzo[a]naphthacene-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H24N2O10S
|
||||||||||||||||||
| Molecular Weight |
640.626
|
||||||||||||||||||
| Canonical SMILES |
COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc(/C=N/N=C(\S)Oc3ccccc3)c(C(=O)O)c1O)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H24N2O10S/c1-13-19(36)11-18-23(26(13)37)30(41)25-24(27(18)38)29(40)22-17(31(25)44-2)9-8-14-10-15(21(32(42)43)28(39)20(14)22)12-34-35-33(46)45-16-6-4-3-5-7-16/h3-7,10-12,36-37,39-40H,8-9H2,1-2H3,(H,35,46)(H,42,43)/b34-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
FASJZQXXYXOWKN-PONZDJLKSA-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