General Information of the Compound
| Compound ID |
CP0123463
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,1-trifluoro-4-(2-methoxy-5-(pyrimidin-5-yl)phenyl)-4-methylpentan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25F3N4O2
|
||||||||||||||||||
| Molecular Weight |
470.495
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1cncnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25F3N4O2/c1-23(2,20-9-16(4-5-22(20)34-3)18-11-30-15-31-12-18)14-24(33,25(26,27)28)10-19-8-17-6-7-29-13-21(17)32-19/h4-9,11-13,15,32-33H,10,14H2,1-3H3/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XBQOGUUBKKKKHI-DEOSSOPVSA-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