General Information of the Compound
| Compound ID |
CP0490415
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2-amino-6-methylpyridin-3-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(2-amino-6-methylpyridin-3-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H36N6O4S2
|
||||||||||||||||||
| Molecular Weight |
560.746
|
||||||||||||||||||
| Canonical SMILES |
C\C(N(Cc1ccc(C)nc1N)C=O)=C(/CCO)SS\C(CCO)=C(\C)N(Cc1ccc(C)nc1N)C=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H36N6O4S2/c1-17-5-7-21(25(27)29-17)13-31(15-35)19(3)23(9-11-33)37-38-24(10-12-34)20(4)32(16-36)14-22-8-6-18(2)30-26(22)28/h5-8,15-16,33-34H,9-14H2,1-4H3,(H2,27,29)(H2,28,30)/b23-19-,24-20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CIXZEXIARPVKCP-SRPFLQSCSA-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