General Information of the Compound
| Compound ID |
CP0891674
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-N-{3-[cis-4-({2-Methoxy-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzyl}amino)-3-phenyl-1-piperidinyl]-3-oxopropyl}acetamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31ClF3N7O3
|
||||||||||||||||||
| Molecular Weight |
582.027
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)CCNC(C)=O)C[C@H]1c1ccccc1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30F3N7O3.ClH/c1-17(37)30-12-10-24(38)35-13-11-22(21(16-35)18-6-4-3-5-7-18)31-15-19-14-20(8-9-23(19)39-2)36-25(26(27,28)29)32-33-34-36;/h3-9,14,21-22,31H,10-13,15-16H2,1-2H3,(H,30,37);1H/t21-,22-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BZYVNQRDBVYHGS-VROPFNGYSA-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