General Information of the Compound
| Compound ID |
CP0888413
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2R,4R)-4-({[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-carbonyl}amino)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H23F2NO7
|
||||||||||||||||||
| Molecular Weight |
523.488
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(c1)O[C@@H](c1cccc(C(=O)O)c1)C[C@H]2NC(=O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H23F2NO7/c1-35-18-6-7-19-20(14-22(36-23(19)13-18)15-3-2-4-16(11-15)25(32)33)31-26(34)27(9-10-27)17-5-8-21-24(12-17)38-28(29,30)37-21/h2-8,11-13,20,22H,9-10,14H2,1H3,(H,31,34)(H,32,33)/t20-,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LSBRKYXIZOVMPC-IFMALSPDSA-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