General Information of the Compound
| Compound ID |
CP0514816
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(5-chloro-2-methylphenyl)-1H-indol-5-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C18H16ClNO2
|
||||||||||||||||||
| Molecular Weight |
313.784
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Cl)cc1-c1cc2cc(CCC(O)=O)ccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16ClNO2/c1-11-2-5-14(19)10-15(11)17-9-13-8-12(4-7-18(21)22)3-6-16(13)20-17/h2-3,5-6,8-10,20H,4,7H2,1H3,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CIAHIOJXVURLFN-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 | |||||||||||||||||||
| 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