General Information of the Compound
| Compound ID |
CP0221890
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propyl]-1-benzylpiperidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H41N5O2S
|
||||||||||||||||||
| Molecular Weight |
571.791
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCNC2CCN(Cc3ccccc3)CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H41N5O2S/c39-41(40,30-11-5-2-6-12-30)38-22-17-31-32(13-7-14-33(31)38)37-25-23-35(24-26-37)19-8-18-34-29-15-20-36(21-16-29)27-28-9-3-1-4-10-28/h1-7,9-14,17,22,29,34H,8,15-16,18-21,23-27H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OJFCLAACSLBCMO-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