General Information of the Compound
| Compound ID |
CP0515438
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8906911, 4
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H35F3N4O3
|
||||||||||||||||||
| Molecular Weight |
508.585
|
||||||||||||||||||
| Canonical SMILES |
CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@H]2C[C@@H]1CN2c1cc(ccn1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H35F3N4O3/c1-35-22-15-36-8-5-21(22)31-18-9-16-3-2-6-25(16,12-18)24(34)33-14-19-11-20(33)13-32(19)23-10-17(4-7-30-23)26(27,28)29/h4,7,10,16,18-22,31H,2-3,5-6,8-9,11-15H2,1H3/t16-,18-,19-,20-,21-,22-,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CXHULVDMUOOGDN-UHIXSVIISA-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