General Information of the Compound
| Compound ID |
CP0445174
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[4-[1-[7-(4-methoxyphenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]indazol-1-yl]butyl]benzoyl]amino]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H34F3N3O5
|
||||||||||||||||||
| Molecular Weight |
645.678
|
||||||||||||||||||
| Canonical SMILES |
CCCC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(-c2cc(ccc2OC)C(F)(F)F)c2cccc(-c3ccc(OC)cc3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H34F3N3O5/c1-4-6-30(23-9-11-24(12-10-23)35(45)40-20-19-32(43)44)42-34-27(22-13-16-26(46-2)17-14-22)7-5-8-28(34)33(41-42)29-21-25(36(37,38)39)15-18-31(29)47-3/h5,7-18,21,30H,4,6,19-20H2,1-3H3,(H,40,45)(H,43,44)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OSPKGZGDFMZESW-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