General Information of the Compound
| Compound ID |
CP0435759
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1-(1-((1r,4r)-4-tert-butylcyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)-2,3-dihydro-1H-indene-5-carboxamido)propanoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C31H38F3N3O5
|
||||||||||||||||||
| Molecular Weight |
589.655
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H38F3N3O5/c1-30(2,3)21-6-10-23(11-7-21)37(29(41)36-22-8-12-24(13-9-22)42-31(32,33)34)26-15-5-19-18-20(4-14-25(19)26)28(40)35-17-16-27(38)39/h4,8-9,12-14,18,21,23,26H,5-7,10-11,15-17H2,1-3H3,(H,35,40)(H,36,41)(H,38,39)/t21-,23-,26?
Show/Hide
|
||||||||||||||||||
| InChIKey |
KNMAVSXEMFMOGI-WHJHLYOLSA-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