General Information of the Compound
| Compound ID |
CP0549718
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5'-chloro-1-[(2,5-difluorophenyl)methyl]-3-methyl-2,2',5-trioxospiro[imidazolidine-4,3'-indole]-1'-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H14ClF2N3O5
|
||||||||||||||||||
| Molecular Weight |
449.797
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)N(Cc2cc(F)ccc2F)C(=O)C11C(=O)N(CC(O)=O)c2ccc(Cl)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H14ClF2N3O5/c1-24-19(31)26(8-10-6-12(22)3-4-14(10)23)18(30)20(24)13-7-11(21)2-5-15(13)25(17(20)29)9-16(27)28/h2-7H,8-9H2,1H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YVLCOFIFKUMSFF-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