General Information of the Compound
| Compound ID |
CP0002105
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[3-[1-hydroxy-4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]hexanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25N3O5
|
||||||||||||||||||
| Molecular Weight |
471.513
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC(O)=O)c3ccccc23)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25N3O5/c1-28-15-19(17-9-4-6-11-21(17)28)24-25(27(34)30(35)26(24)33)20-16-29(14-8-2-3-13-23(31)32)22-12-7-5-10-18(20)22/h4-7,9-12,15-16,35H,2-3,8,13-14H2,1H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IEKFVXRUVOKBHO-UHFFFAOYSA-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
Protein ID: PT01223, Aurora kinase B
Protein ID: PT03105, Receptor-interacting serine/threonine-protein kinase 3