General Information of the Compound
| Compound ID |
CP0431270
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 2-[2-oxo-1'-[(4-phenylphenyl)methyl]spiro[indole-3,4'-piperidine]-1-yl]acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28N2O3
|
||||||||||||||||||
| Molecular Weight |
440.543
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)CN1C(=O)C2(CCN(Cc3ccc(cc3)-c3ccccc3)CC2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28N2O3/c1-33-26(31)20-30-25-10-6-5-9-24(25)28(27(30)32)15-17-29(18-16-28)19-21-11-13-23(14-12-21)22-7-3-2-4-8-22/h2-14H,15-20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YEJAUONSLWIJGR-UHFFFAOYSA-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