General Information of the Compound
| Compound ID |
CP0914361
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(1S,6R,7S)-8-(4-Butyl-benzoyl)-3,5-dioxo-2,4,8-triaza-tricyclo[5.2.1.0*2,6*]dec-4-yl]-2-trifluoromethyl-benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23F3N4O3
|
||||||||||||||||||
| Molecular Weight |
496.489
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2[C@@H]2C(=O)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)N32)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23F3N4O3/c1-2-3-4-15-5-7-16(8-6-15)23(34)31-14-19-12-21(31)22-24(35)33(25(36)32(19)22)18-10-9-17(13-30)20(11-18)26(27,28)29/h5-11,19,21-22H,2-4,12,14H2,1H3/t19-,21-,22+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UIBMSFSVOATJPP-ILWGZMRPSA-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