General Information of the Compound
| Compound ID |
CP0422051
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[(S)-[2-(4-cyanoanilino)pyrimidin-4-yl]-hydroxymethyl]-3-(trifluoromethyl)phenyl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Formula |
C26H16F3N5O
|
||||||||||||||||||
| Molecular Weight |
471.442
|
||||||||||||||||||
| Canonical SMILES |
O[C@H](c1ccnc(Nc2ccc(cc2)C#N)n1)c1ccc(cc1C(F)(F)F)-c1ccc(cc1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H16F3N5O/c27-26(28,29)22-13-19(18-5-1-16(14-30)2-6-18)7-10-21(22)24(35)23-11-12-32-25(34-23)33-20-8-3-17(15-31)4-9-20/h1-13,24,35H,(H,32,33,34)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YGDJSUJAJDJUHW-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 | |||||||||||||||||||
| 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