General Information of the Compound
| Compound ID |
CP0461629
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-(2-(1-heptyl-3-(4-(trifluoromethoxy)phenyl)ureido)-2,3-dihydro-1H-inden-5-ylthio)-2-methylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H35F3N2O4S
|
||||||||||||||||||
| Molecular Weight |
552.659
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCN([C@@H]1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H35F3N2O4S/c1-4-5-6-7-8-15-33(26(36)32-21-10-12-23(13-11-21)37-28(29,30)31)22-16-19-9-14-24(18-20(19)17-22)38-27(2,3)25(34)35/h9-14,18,22H,4-8,15-17H2,1-3H3,(H,32,36)(H,34,35)/t22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GOSZSPLAAYPFSQ-JOCHJYFZSA-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