General Information of the Compound
| Compound ID |
CP0486552
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[4-[1-[3-(5-methoxypyridin-3-yl)-6-[4-(trifluoromethoxy)phenyl]indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H27F3N4O5
|
||||||||||||||||||
| Molecular Weight |
604.585
|
||||||||||||||||||
| Canonical SMILES |
COc1cncc(c1)-c1nn(C(C)c2ccc(cc2)C(=O)NCCC(O)=O)c2cc(ccc12)-c1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H27F3N4O5/c1-19(20-3-5-22(6-4-20)31(42)37-14-13-29(40)41)39-28-16-23(21-7-10-25(11-8-21)44-32(33,34)35)9-12-27(28)30(38-39)24-15-26(43-2)18-36-17-24/h3-12,15-19H,13-14H2,1-2H3,(H,37,42)(H,40,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTVASZSCDDSSPC-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