General Information of the Compound
| Compound ID |
CP0528057
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(1-ethyl-3-(4-isopropylphenyl)ureido)-2,3-dihydro-1H-inden-5-ylthio)-2-methylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32N2O3S
|
||||||||||||||||||
| Molecular Weight |
440.609
|
||||||||||||||||||
| Canonical SMILES |
CCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(cc1)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N2O3S/c1-6-27(24(30)26-20-10-7-17(8-11-20)16(2)3)21-13-18-9-12-22(15-19(18)14-21)31-25(4,5)23(28)29/h7-12,15-16,21H,6,13-14H2,1-5H3,(H,26,30)(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVLSUCQUVLPYIB-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