General Information of the Compound
| Compound ID |
CP0953628
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-((5-(spiro[indene-1,4'-piperidine]-1'-ylcarbonyl)thiophen-2-yl)methoxy)phenyl)hex-4-ynoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H29NO4S
|
||||||||||||||||||
| Molecular Weight |
511.643
|
||||||||||||||||||
| Canonical SMILES |
CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCC4(C=Cc5ccccc54)CC3)s2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H29NO4S/c1-2-5-24(20-29(33)34)22-8-10-25(11-9-22)36-21-26-12-13-28(37-26)30(35)32-18-16-31(17-19-32)15-14-23-6-3-4-7-27(23)31/h3-4,6-15,24H,16-21H2,1H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KFZWCIILLPEUIG-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