General Information of the Compound
| Compound ID |
CP0457127
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-amino-4-(aziridine-1-carbonyl)-5-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy]anilino]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H23N5O2
|
||||||||||||||||||
| Molecular Weight |
449.514
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(Nc2ccc(cc2)C#N)c(N)cc1C(=O)N1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H23N5O2/c1-17-12-20(4-3-9-28)13-18(2)26(17)34-25-15-24(31-21-7-5-19(16-29)6-8-21)23(30)14-22(25)27(33)32-10-11-32/h3-8,12-15,31H,10-11,30H2,1-2H3/b4-3+
Show/Hide
|
||||||||||||||||||
| InChIKey |
CPYABBSGVVVLAO-ONEGZZNKSA-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