General Information of the Compound
| Compound ID |
CP0851854
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-{[(3R)-3-[(R)-Cyclohexyl(hydroxy)methyl]-2,5-dioxo-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undec-9-yl]methyl}phenoxy)-N-methylbenzamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H40ClF3N4O5
|
||||||||||||||||||
| Molecular Weight |
653.142
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CC(F)(F)F)cc2)cc1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H39F3N4O5.ClH/c1-36-28(41)23-9-13-25(14-10-23)44-24-11-7-21(8-12-24)19-38-17-15-31(16-18-38)30(43)37-26(27(40)22-5-3-2-4-6-22)29(42)39(31)20-32(33,34)35;/h7-14,22,26-27,40H,2-6,15-20H2,1H3,(H,36,41)(H,37,43);1H/t26-,27-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWYNZZOQTIYMBG-CNZCJKERSA-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