General Information of the Compound
| Compound ID |
CP0427699
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(6-(4-butylphenyl)-7-fluoro-1H-indol-2-yl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22FNO2
|
||||||||||||||||||
| Molecular Weight |
387.454
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1ccc(cc1)-c1ccc2cc([nH]c2c1F)-c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22FNO2/c1-2-3-4-16-5-7-17(8-6-16)21-14-13-20-15-22(27-24(20)23(21)26)18-9-11-19(12-10-18)25(28)29/h5-15,27H,2-4H2,1H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SVPPHEHZHDZTHC-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