General Information of the Compound
| Compound ID |
CP0123747
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4289064
Show/Hide
|
||||||||||||||||||
| Formula |
C26H30F3N7O2
|
||||||||||||||||||
| Molecular Weight |
529.567
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)CN[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](CNc1nc(NCc4ccccc4OC(F)(F)F)ncc1C#N)(C3)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30F3N7O2/c27-26(28,29)38-20-4-2-1-3-16(20)11-33-24-34-12-19(10-30)23(36-24)35-14-25-7-15-5-17(8-25)22(18(6-15)9-25)32-13-21(31)37/h1-4,12,15,17-18,22,32H,5-9,11,13-14H2,(H2,31,37)(H2,33,34,35,36)/t15-,17-,18+,22-,25-
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYDLWCXBRWODHT-IBUWWUCLSA-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