General Information of the Compound
| Compound ID |
CP0037941
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-(Naphthalene-1-sulfonyl)-1H-indol-6-yl]-octahydro-pyrrolo[1,2-a]pyrazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25N3O2S
|
||||||||||||||||||
| Molecular Weight |
431.561
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(cc12)N1CCN2CCCC2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N3O2S/c29-31(30,25-9-3-6-19-5-1-2-8-23(19)25)28-14-12-20-10-11-21(17-24(20)28)27-16-15-26-13-4-7-22(26)18-27/h1-3,5-6,8-12,14,17,22H,4,7,13,15-16,18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNELKPKYCQGGFW-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