General Information of the Compound
| Compound ID |
CP0375284
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[(E)-4-oxo-4-phenylbut-2-en-2-yl]amino]-3-[4-[3-(4-phenyldiazenylphenoxy)propoxy]phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C34H33N3O5
|
||||||||||||||||||
| Molecular Weight |
563.654
|
||||||||||||||||||
| Canonical SMILES |
C\C(NC(Cc1ccc(OCCCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H33N3O5/c1-25(23-33(38)27-9-4-2-5-10-27)35-32(34(39)40)24-26-13-17-30(18-14-26)41-21-8-22-42-31-19-15-29(16-20-31)37-36-28-11-6-3-7-12-28/h2-7,9-20,23,32,35H,8,21-22,24H2,1H3,(H,39,40)/b25-23+,37-36+
Show/Hide
|
||||||||||||||||||
| InChIKey |
NWKLMPPRHKWFNB-PSLOTRKISA-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 | |||||||||||||||||||
| 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