General Information of the Compound
| Compound ID |
CP0253308
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2,6-Diamino-hexanoic acid (2-{7-[3-((S)-2,6-diamino-hexanoylamino)-propionylamino]-9,10-dioxo-9,10-dihydro-anthracen-2-ylcarbamoyl}-ethyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H44N8O6
|
||||||||||||||||||
| Molecular Weight |
636.754
|
||||||||||||||||||
| Canonical SMILES |
NCCCC[C@H](N)C(=O)NCCC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CCNC(=O)[C@@H](N)CCCCN)cc3C(=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H44N8O6/c33-13-3-1-5-25(35)31(45)37-15-11-27(41)39-19-7-9-21-23(17-19)30(44)24-18-20(8-10-22(24)29(21)43)40-28(42)12-16-38-32(46)26(36)6-2-4-14-34/h7-10,17-18,25-26H,1-6,11-16,33-36H2,(H,37,45)(H,38,46)(H,39,41)(H,40,42)/t25-,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VUAYLJKSSVEPRW-UIOOFZCWSA-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