General Information of the Compound
| Compound ID |
CP0452402
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[4-[(2S)-2-[5-methoxy-1-[3-(trifluoromethyl)phenyl]indole-2-carbonyl]heptyl]benzoyl]amino]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H35F3N2O5
|
||||||||||||||||||
| Molecular Weight |
608.657
|
||||||||||||||||||
| Canonical SMILES |
CCCCC[C@@H](Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(OC)ccc2n1-c1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H35F3N2O5/c1-3-4-5-7-24(18-22-10-12-23(13-11-22)33(43)38-17-16-31(40)41)32(42)30-20-25-19-28(44-2)14-15-29(25)39(30)27-9-6-8-26(21-27)34(35,36)37/h6,8-15,19-21,24H,3-5,7,16-18H2,1-2H3,(H,38,43)(H,40,41)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TVVIPGYJDALCDA-DEOSSOPVSA-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