General Information of the Compound
| Compound ID |
CP0431228
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1R)-1'-[[6-(trifluoromethyl)-9H-carbazol-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H28F3N3O
|
||||||||||||||||||
| Molecular Weight |
491.557
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H]1CC2(CCN(Cc3ccc4[nH]c5ccc(cc5c4c3)C(F)(F)F)CC2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28F3N3O/c1-18(36)33-27-16-28(24-5-3-2-4-21(24)27)10-12-35(13-11-28)17-19-6-8-25-22(14-19)23-15-20(29(30,31)32)7-9-26(23)34-25/h2-9,14-15,27,34H,10-13,16-17H2,1H3,(H,33,36)/t27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MONSMMSOXZSPJM-HHHXNRCGSA-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