General Information of the Compound
| Compound ID |
CP0137982
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]hexyl]-1,2,3,4-tetrahydroacridin-9-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H43N5O2S
|
||||||||||||||||||
| Molecular Weight |
621.851
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCCNc2c3CCCCc3nc3ccccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H43N5O2S/c43-45(44,29-13-4-3-5-14-29)42-24-21-32-35(19-12-20-36(32)42)41-27-25-40(26-28-41)23-11-2-1-10-22-38-37-30-15-6-8-17-33(30)39-34-18-9-7-16-31(34)37/h3-6,8,12-15,17,19-21,24H,1-2,7,9-11,16,18,22-23,25-28H2,(H,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
INTOYXAUMDZZCK-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