General Information of the Compound
| Compound ID |
CP0559064
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-[[(2S)-4-(1-benzothiophen-2-ylsulfonyl)piperazin-2-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H35N5O2S2
|
||||||||||||||||||
| Molecular Weight |
513.733
|
||||||||||||||||||
| Canonical SMILES |
NCCCCN(C[C@H]1CN(CCN1)S(=O)(=O)c1cc2ccccc2s1)[C@H]1CCCc2cccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H35N5O2S2/c27-12-3-4-15-30(23-10-5-8-20-9-6-13-29-26(20)23)18-22-19-31(16-14-28-22)35(32,33)25-17-21-7-1-2-11-24(21)34-25/h1-2,6-7,9,11,13,17,22-23,28H,3-5,8,10,12,14-16,18-19,27H2/t22-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MNNBALJLXVSZMB-GOTSBHOMSA-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