General Information of the Compound
| Compound ID |
CP0464127
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((1R,2S)-2-(((3-(4-fluorophenyl)propyl)(methyl)amino)methyl)cyclohexyl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34FN7O
|
||||||||||||||||||
| Molecular Weight |
479.604
|
||||||||||||||||||
| Canonical SMILES |
CN(CCCc1ccc(F)cc1)C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(c1)-c1nnnn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34FN7O/c1-33(16-6-7-19-12-14-22(27)15-13-19)18-21-8-3-4-11-24(21)29-26(35)28-23-10-5-9-20(17-23)25-30-31-32-34(25)2/h5,9-10,12-15,17,21,24H,3-4,6-8,11,16,18H2,1-2H3,(H2,28,29,35)/t21-,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ADGPNLCKGSWYFU-XUZZJYLKSA-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