General Information of the Compound
| Compound ID |
CP0513775
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2-aminopyridin-3-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(2-aminopyridin-3-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32N6O4S2
|
||||||||||||||||||
| Molecular Weight |
532.692
|
||||||||||||||||||
| Canonical SMILES |
C\C(N(Cc1cccnc1N)C=O)=C(/CCO)SS\C(CCO)=C(\C)N(Cc1cccnc1N)C=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32N6O4S2/c1-17(29(15-33)13-19-5-3-9-27-23(19)25)21(7-11-31)35-36-22(8-12-32)18(2)30(16-34)14-20-6-4-10-28-24(20)26/h3-6,9-10,15-16,31-32H,7-8,11-14H2,1-2H3,(H2,25,27)(H2,26,28)/b21-17-,22-18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWZUDTKJRZAEPN-SVJWQLCWSA-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