General Information of the Compound
| Compound ID |
CP0907762
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((tert-butylaminocarbonothioyl)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 |
C31H29N3O9S
|
||||||||||||||||||
| Molecular Weight |
619.652
|
||||||||||||||||||
| Canonical SMILES |
COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc(/C=N/N=C(\S)NC(C)(C)C)c(C(=O)O)c1O)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H29N3O9S/c1-11-16(35)9-15-20(23(11)36)27(40)22-21(24(15)37)26(39)19-14(28(22)43-5)7-6-12-8-13(18(29(41)42)25(38)17(12)19)10-32-34-30(44)33-31(2,3)4/h8-10,35-36,38-39H,6-7H2,1-5H3,(H,41,42)(H2,33,34,44)/b32-10+
Show/Hide
|
||||||||||||||||||
| InChIKey |
UNVIUHCDIGCWQK-INRUPRTJSA-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