General Information of the Compound
| Compound ID |
CP0012177
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-propan-2-ylbenzoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C30H27F3N4O3
|
||||||||||||||||||
| Molecular Weight |
548.565
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cc(ccc1C(O)=O)-c1cnn2ccc(nc12)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H27F3N4O3/c1-15(2)22-11-18(6-7-21(22)29(39)40)23-13-34-37-9-8-25(35-27(23)37)19-10-20-14-36(16(3)17-4-5-17)28(38)26(20)24(12-19)30(31,32)33/h6-13,15-17H,4-5,14H2,1-3H3,(H,39,40)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHCSLWRCKYDLOT-INIZCTEOSA-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
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform