General Information of the Compound
| Compound ID |
CP0575047
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[(6-chloro-5-ethoxy-1H-benzimidazol-2-yl)methyl]-1-oxophthalazin-2-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17ClN4O4
|
||||||||||||||||||
| Molecular Weight |
412.833
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc2[nH]c(Cc3nn(CC(O)=O)c(=O)c4ccccc34)nc2cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17ClN4O4/c1-2-29-17-8-16-15(7-13(17)21)22-18(23-16)9-14-11-5-3-4-6-12(11)20(28)25(24-14)10-19(26)27/h3-8H,2,9-10H2,1H3,(H,22,23)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFSMQDIXCQWEPL-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 | |||||||||||||||||||
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