General Information of the Compound
| Compound ID |
CP0475955
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-((2-(4,5-dichloro-2-(4-fluorophenyl)-6-methoxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)ethyl)(methyl)amino)-2-phenylacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H22Cl2FNO5
|
||||||||||||||||||
| Molecular Weight |
530.379
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2C(=O)C(CCN(C)[C@H](C(O)=O)c3ccccc3)(C(=O)c2c(Cl)c1Cl)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22Cl2FNO5/c1-31(23(26(34)35)15-6-4-3-5-7-15)13-12-27(16-8-10-17(30)11-9-16)24(32)18-14-19(36-2)21(28)22(29)20(18)25(27)33/h3-11,14,23H,12-13H2,1-2H3,(H,34,35)/t23-,27?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZVPCRFGVNOUFBK-DCCUJTHKSA-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