General Information of the Compound
| Compound ID |
CP0530272
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-1-yl]-3-methylbutyl]pyridine-2-carbonyl]amino]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26ClF3N4O3
|
||||||||||||||||||
| Molecular Weight |
558.988
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CC(c1ccc(nc1)C(=O)NCCC(O)=O)n1ncc2cc(ccc12)-c1ccc(cc1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26ClF3N4O3/c1-16(2)11-25(18-3-7-23(34-14-18)27(39)33-10-9-26(37)38)36-24-8-4-17(12-19(24)15-35-36)21-6-5-20(13-22(21)29)28(30,31)32/h3-8,12-16,25H,9-11H2,1-2H3,(H,33,39)(H,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHUNISZLEGDLDZ-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