General Information of the Compound
| Compound ID |
CP0477605
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H33NO6
|
||||||||||||||||||
| Molecular Weight |
539.628
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccccc2C(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H33NO6/c1-23-30(38-2)20-26(21-31(23)39-3)32(35)34(19-9-12-24-10-5-4-6-11-24)22-25-15-17-27(18-16-25)40-29-14-8-7-13-28(29)33(36)37/h4-8,10-11,13-18,20-21H,9,12,19,22H2,1-3H3,(H,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SYLQBPMHGDPOHN-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