General Information of the Compound
| Compound ID |
CP0371198
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9,10-Dioxo-9,10-dihydro-anthracene-2,6-dicarboxylic acid bis-{[2-((2S,3R)-2-amino-3-hydroxy-butyrylamino)-ethyl]-amide}
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34N6O8
|
||||||||||||||||||
| Molecular Weight |
582.614
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](O)[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)[C@@H](C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34N6O8/c1-13(35)21(29)27(41)33-9-7-31-25(39)15-3-5-17-19(11-15)23(37)18-6-4-16(12-20(18)24(17)38)26(40)32-8-10-34-28(42)22(30)14(2)36/h3-6,11-14,21-22,35-36H,7-10,29-30H2,1-2H3,(H,31,39)(H,32,40)(H,33,41)(H,34,42)/t13-,14-,21+,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GUUFAZKQBOAQJL-WRMVBYCNSA-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