General Information of the Compound
| Compound ID |
CP0519248
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H31FN4O6S
|
||||||||||||||||||
| Molecular Weight |
642.709
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1c(oc2cc(N(CCO)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)NC1(CC1)c1ccccn1)-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H31FN4O6S/c1-36-33(42)30-26-19-25(22-6-5-7-23(18-22)32(41)38-34(13-14-34)29-8-3-4-15-37-29)27(39(16-17-40)46(2,43)44)20-28(26)45-31(30)21-9-11-24(35)12-10-21/h3-12,15,18-20,40H,13-14,16-17H2,1-2H3,(H,36,42)(H,38,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSMFZNYMBWVYOE-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