General Information of the Compound
| Compound ID |
CP0401875
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((4-((3-(4-tert-butylbenzyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-2-methoxyphenoxy)methyl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H29NO6S
|
||||||||||||||||||
| Molecular Weight |
531.63
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(C)(C)C)C2=O)ccc1OCc1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29NO6S/c1-30(2,3)23-12-7-19(8-13-23)17-31-27(32)26(38-29(31)35)16-21-9-14-24(25(15-21)36-4)37-18-20-5-10-22(11-6-20)28(33)34/h5-16H,17-18H2,1-4H3,(H,33,34)/b26-16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ABGXPXJMRRMUKP-QQXSKIMKSA-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