General Information of the Compound
| Compound ID |
CP0861041
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((Pentylaminocarbonothioyl)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 |
C32H31N3O9S
|
||||||||||||||||||
| Molecular Weight |
633.679
|
||||||||||||||||||
| Canonical SMILES |
CCCCC/N=C(\S)N/N=C/c1cc2c(c(O)c1C(=O)O)-c1c(O)c3c(c(OC)c1CC2)C(=O)c1c(cc(O)c(C)c1O)C3=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H31N3O9S/c1-4-5-6-9-33-32(45)35-34-12-15-10-14-7-8-16-21(19(14)27(39)20(15)31(42)43)28(40)23-24(30(16)44-3)29(41)22-17(26(23)38)11-18(36)13(2)25(22)37/h10-12,36-37,39-40H,4-9H2,1-3H3,(H,42,43)(H2,33,35,45)/b34-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
RMBSIESIJDLVPL-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