General Information of the Compound
| Compound ID |
CP0419276
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8906911, 10
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H37F3N4O3
|
||||||||||||||||||
| Molecular Weight |
582.667
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cccc(c1)C1CCN(CC1)[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/C32H37F3N4O3/c33-32(34,35)24-6-10-36-28(15-24)38-18-27-16-26(38)19-39(27)30(42)31-9-2-5-23(31)14-25(17-31)37-11-7-20(8-12-37)21-3-1-4-22(13-21)29(40)41/h1,3-4,6,10,13,15,20,23,25-27H,2,5,7-9,11-12,14,16-19H2,(H,40,41)/t23-,25-,26+,27+,31-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XOJWWWPYXBYXLV-YOLPVHPBSA-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