General Information of the Compound
| Compound ID |
CP0476580
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[4-[2-[5-chloro-1-[3-(trifluoromethoxy)phenyl]indole-2-carbonyl]pentyl]benzoyl]amino]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28ClF3N2O5
|
||||||||||||||||||
| Molecular Weight |
601.021
|
||||||||||||||||||
| Canonical SMILES |
CCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(OC(F)(F)F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28ClF3N2O5/c1-2-4-21(15-19-7-9-20(10-8-19)30(41)36-14-13-28(38)39)29(40)27-17-22-16-23(32)11-12-26(22)37(27)24-5-3-6-25(18-24)42-31(33,34)35/h3,5-12,16-18,21H,2,4,13-15H2,1H3,(H,36,41)(H,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZDDAKQIAOYLQLH-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