General Information of the Compound
| Compound ID |
CP0420893
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2Z)-2-[[4-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H22N4O4
|
||||||||||||||||||
| Molecular Weight |
466.497
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)NCCCc1nc2ccccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22N4O4/c28-26(33)19-6-3-5-18-24(32)22(35-25(18)19)15-16-10-12-17(13-11-16)27(34)29-14-4-9-23-30-20-7-1-2-8-21(20)31-23/h1-3,5-8,10-13,15H,4,9,14H2,(H2,28,33)(H,29,34)(H,30,31)/b22-15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
QDZDHZKATXAMLS-JCMHNJIXSA-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: PT00839, Poly [ADP-ribose] polymerase 1
Protein ID: PT01328, Poly [ADP-ribose] polymerase 2