General Information of the Compound
| Compound ID |
CP0501702
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(Z)-3-[[(Z)-2-[acetyl-[(2-amino-6-methylpyridin-3-yl)methyl]amino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]-N-[(2-amino-6-methylpyridin-3-yl)methyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H40N6O4S2
|
||||||||||||||||||
| Molecular Weight |
588.8
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N(Cc1ccc(C)nc1N)C(\C)=C(\CCO)SS\C(CCO)=C(\C)N(Cc1ccc(C)nc1N)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H40N6O4S2/c1-17-7-9-23(27(29)31-17)15-33(21(5)37)19(3)25(11-13-35)39-40-26(12-14-36)20(4)34(22(6)38)16-24-10-8-18(2)32-28(24)30/h7-10,35-36H,11-16H2,1-6H3,(H2,29,31)(H2,30,32)/b25-19-,26-20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
OGSOMRUOKGBMNR-DQIQZUARSA-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