General Information of the Compound
| Compound ID |
CP0492655
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[4-[2-[5-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]indole-2-carbonyl]pentyl]benzoyl]amino]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H27Cl2F3N2O4
|
||||||||||||||||||
| Molecular Weight |
619.467
|
||||||||||||||||||
| Canonical SMILES |
CCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(Cl)c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H27Cl2F3N2O4/c1-2-3-20(14-18-4-6-19(7-5-18)30(42)37-13-12-28(39)40)29(41)27-16-21-15-22(32)8-11-26(21)38(27)23-9-10-25(33)24(17-23)31(34,35)36/h4-11,15-17,20H,2-3,12-14H2,1H3,(H,37,42)(H,39,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LSAXTXBFQFAVON-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