General Information of the Compound
| Compound ID |
CP0414777
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3,3-Diphenyl-propylamino)-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H29N3O3S
|
||||||||||||||||||
| Molecular Weight |
511.647
|
||||||||||||||||||
| Canonical SMILES |
Cc1noc(NS(=O)(=O)c2cccc3c(NCCC(c4ccccc4)c4ccccc4)cccc23)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29N3O3S/c1-21-22(2)32-36-30(21)33-37(34,35)29-18-10-15-26-27(29)16-9-17-28(26)31-20-19-25(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-18,25,31,33H,19-20H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCWQLSWCEVFUPX-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