General Information of the Compound
Compound ID |
CP0895716
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
rac-cis-N-Ethyl-4-({2-ethoxy-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzyl}amino)-3-phenylpiperidine-1-carboxamide hydrochloride
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C25H31ClF3N7O2
|
||||||||||||||||||
Molecular Weight |
554.017
|
||||||||||||||||||
Canonical SMILES |
CCNC(=O)N1CC[C@H](NCc2cc(-n3nnnc3C(F)(F)F)ccc2OCC)[C@H](c2ccccc2)C1.Cl
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C25H30F3N7O2.ClH/c1-3-29-24(36)34-13-12-21(20(16-34)17-8-6-5-7-9-17)30-15-18-14-19(10-11-22(18)37-4-2)35-23(25(26,27)28)31-32-33-35;/h5-11,14,20-21,30H,3-4,12-13,15-16H2,1-2H3,(H,29,36);1H/t20-,21-;/m0./s1
Show/Hide
|
||||||||||||||||||
InChIKey |
BSMZTMOGBFQFOJ-GUTACTQSSA-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