General Information of the Compound
| Compound ID |
CP0237548
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[7-methoxy-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31N5O4S
|
||||||||||||||||||
| Molecular Weight |
533.654
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(N3CCC(CC3)(C#N)c3ccccc3)c(cnc2c1)C(=O)N1CCN(CC1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N5O4S/c1-37-22-8-9-23-25(18-22)30-19-24(27(34)32-14-16-33(17-15-32)38(2,35)36)26(23)31-12-10-28(20-29,11-13-31)21-6-4-3-5-7-21/h3-9,18-19H,10-17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHSHRGVSEXNTQT-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