General Information of the Compound
| Compound ID |
CP0410940
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]spiro[1H-indene-3,4'-piperidine]-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29FN4O4S
|
||||||||||||||||||
| Molecular Weight |
536.629
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC2(CC1)C(=O)Cc1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29FN4O4S/c1-38(36,37)33-14-12-32(13-15-33)27(35)22-18-30-24-7-6-20(29)17-21(24)26(22)31-10-8-28(9-11-31)23-5-3-2-4-19(23)16-25(28)34/h2-7,17-18H,8-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KYCJMCTWZQDMRF-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