General Information of the Compound
| Compound ID |
CP0919965
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((N-piperidinyl-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 |
C32H30N4O9S
|
||||||||||||||||||
| Molecular Weight |
646.678
|
||||||||||||||||||
| Canonical SMILES |
COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc(/C=N/N=C(\S)NN3CCCCC3)c(C(=O)O)c1O)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H30N4O9S/c1-13-18(37)11-17-22(25(13)38)29(42)24-23(26(17)39)28(41)21-16(30(24)45-2)7-6-14-10-15(20(31(43)44)27(40)19(14)21)12-33-34-32(46)35-36-8-4-3-5-9-36/h10-12,37-38,40-41H,3-9H2,1-2H3,(H,43,44)(H2,34,35,46)/b33-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZEUJGAMOGHXJHY-RVDKCFQWSA-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