General Information of the Compound
| Compound ID |
CP0265833
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(1S)-5-{3-[4-(pyridin-3-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25NO4
|
||||||||||||||||||
| Molecular Weight |
403.478
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3cccnc3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25NO4/c27-25(28)16-20-5-4-19-15-23(10-11-24(19)20)30-14-2-13-29-22-8-6-18(7-9-22)21-3-1-12-26-17-21/h1,3,6-12,15,17,20H,2,4-5,13-14,16H2,(H,27,28)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
INUNTZWRDQTYAT-FQEVSTJZSA-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