General Information of the Compound
| Compound ID |
CP0457605
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(1-butyl-3-(4-(dimethylamino)phenyl)ureido)-2,3-dihydro-1H-inden-5-ylthio)-2-methylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H35N3O3S
|
||||||||||||||||||
| Molecular Weight |
469.651
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(cc1)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H35N3O3S/c1-6-7-14-29(25(32)27-20-9-11-21(12-10-20)28(4)5)22-15-18-8-13-23(17-19(18)16-22)33-26(2,3)24(30)31/h8-13,17,22H,6-7,14-16H2,1-5H3,(H,27,32)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKWASLSWJYNXIJ-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