General Information of the Compound
| Compound ID |
CP0509865
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-2,3-dihydro-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H31N3O2S
|
||||||||||||||||||
| Molecular Weight |
377.554
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3CCNc3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H31N3O2S/c1-16-7-12-22(13-8-16)14-9-18-3-2-11-23(18)26(24,25)19-5-4-17-6-10-21-20(17)15-19/h4-5,15-16,18,21H,2-3,6-14H2,1H3/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KSOGNGIHTPDLGM-GOSISDBHSA-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