General Information of the Compound
| Compound ID |
CP0519738
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenyl-N-(4-(trifluoromethyl)phenyl)piperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C36H40F3N5O
|
||||||||||||||||||
| Molecular Weight |
615.744
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H40F3N5O/c1-25-40-32-9-5-6-10-33(32)44(25)31-23-29-15-16-30(24-31)43(29)22-19-35(26-7-3-2-4-8-26)17-20-42(21-18-35)34(45)41-28-13-11-27(12-14-28)36(37,38)39/h2-14,29-31H,15-24H2,1H3,(H,41,45)/t29-,30+,31+
Show/Hide
|
||||||||||||||||||
| InChIKey |
OKYWCZZUCLHFSJ-YHTXFFTCSA-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 | |||||||||||||||||||
| 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