General Information of the Compound
| Compound ID |
CP0427740
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{5-chloro-1'-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,2',5'-trione}acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14ClN3O5S
|
||||||||||||||||||
| Molecular Weight |
419.846
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(CN2C(=O)CC3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)cs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14ClN3O5S/c1-9-20-11(8-28-9)6-22-14(23)5-18(17(22)27)12-4-10(19)2-3-13(12)21(16(18)26)7-15(24)25/h2-4,8H,5-7H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFEFRCZEARGBHS-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