General Information of the Compound
| Compound ID |
CP0428073
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28F6N2O
|
||||||||||||||||||
| Molecular Weight |
510.522
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CN(CCCC(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC[C@@]11C=Cc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28F6N2O/c1-18-17-35(12-10-25(18)9-8-20-5-2-3-6-23(20)25)11-4-7-24(36)34-16-19-13-21(26(28,29)30)15-22(14-19)27(31,32)33/h2-3,5-6,8-9,13-15,18H,4,7,10-12,16-17H2,1H3,(H,34,36)/t18-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XPRHLFWRKKPHTO-BVZFJXPGSA-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