General Information of the Compound
| Compound ID |
CP0405439
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]thiophene-2-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H38N4O6S2
|
||||||||||||||||||
| Molecular Weight |
674.845
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)C(CCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H38N4O6S2/c1-24(25-9-5-4-6-10-25)37-18-20-38(21-19-37)29-12-7-11-27-33(29)35(41)39(34(27)40)28(26-14-15-30(44-2)31(23-26)45-3)16-17-36-47(42,43)32-13-8-22-46-32/h4-15,22-24,28,36H,16-21H2,1-3H3/t24-,28?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XWEJKOCDJCMFCN-RIBGEGAISA-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
Protein ID: PT03174, Urotensin-2 receptor
Protein ID: PT02463, Urotensin-2 receptor