General Information of the Compound
| Compound ID |
CP0507406
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (2S)-2-[[5-[(4-bromophenyl)methoxy]-4-oxochromene-2-carbonyl]amino]-3-phenylpropanoate
Show/Hide
|
||||||||||||||||||
| Formula |
C27H22BrNO6
|
||||||||||||||||||
| Molecular Weight |
536.378
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22BrNO6/c1-33-27(32)20(14-17-6-3-2-4-7-17)29-26(31)24-15-21(30)25-22(8-5-9-23(25)35-24)34-16-18-10-12-19(28)13-11-18/h2-13,15,20H,14,16H2,1H3,(H,29,31)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LVRIABKHDNHPTO-FQEVSTJZSA-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