General Information of the Compound
| Compound ID |
CP0436691
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[1-(4-methoxynaphthalen-1-yl)sulfonyl-2,3-dihydroindol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H31N3O5S
|
||||||||||||||||||
| Molecular Weight |
557.672
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)N1CCN(CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)c1ccc(OC)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H31N3O5S/c1-38-23-9-7-8-22(20-23)32-16-18-33(19-17-32)31(35)27-21-34(28-13-6-5-10-24(27)28)40(36,37)30-15-14-29(39-2)25-11-3-4-12-26(25)30/h3-15,20,27H,16-19,21H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FVRZWGAORLIRIZ-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