General Information of the Compound
| Compound ID |
CP0891673
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-cis-4-({2-Methoxy-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzyl}amino)-3-phenyl-N-(2,2,2-trifluoroethyl)-1-piperidinecarboxamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26ClF6N7O2
|
||||||||||||||||||
| Molecular Weight |
593.96
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)NCC(F)(F)F)C[C@H]1c1ccccc1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25F6N7O2.ClH/c1-39-20-8-7-17(37-21(24(28,29)30)33-34-35-37)11-16(20)12-31-19-9-10-36(22(38)32-14-23(25,26)27)13-18(19)15-5-3-2-4-6-15;/h2-8,11,18-19,31H,9-10,12-14H2,1H3,(H,32,38);1H/t18-,19-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYJNPJVXJZJZPV-HLRBRJAUSA-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