General Information of the Compound
| Compound ID |
CP0392077
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1S,2S,4R)-4-[[1-(3-bromophenyl)cyclobutyl]amino]-2-thiophen-3-ylcyclohexyl]-[4-(5-chloropyridin-2-yl)piperazin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H34BrClN4OS
|
||||||||||||||||||
| Molecular Weight |
614.053
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(nc1)N1CCN(CC1)C(=O)[C@H]1CC[C@H](C[C@@H]1c1ccsc1)NC1(CCC1)c1cccc(Br)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34BrClN4OS/c31-23-4-1-3-22(17-23)30(10-2-11-30)34-25-6-7-26(27(18-25)21-9-16-38-20-21)29(37)36-14-12-35(13-15-36)28-8-5-24(32)19-33-28/h1,3-5,8-9,16-17,19-20,25-27,34H,2,6-7,10-15,18H2/t25-,26+,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSMNLSLVGSIRJL-KWXIBIRDSA-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