General Information of the Compound
| Compound ID |
CP0193412
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2315928
Show/Hide
|
||||||||||||||||||
| Formula |
C26H29F3N6O3
|
||||||||||||||||||
| Molecular Weight |
530.551
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(n1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29F3N6O3/c1-38-23-4-2-3-21(34-23)25(37)9-7-18(8-10-25)35-13-17(14-35)33-22(36)12-30-24-19-11-16(26(27,28)29)5-6-20(19)31-15-32-24/h2-6,11,15,17-18,37H,7-10,12-14H2,1H3,(H,33,36)(H,30,31,32)/t18-,25-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ILLLEZNQARTKHO-YGFACIEFSA-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