General Information of the Compound
| Compound ID |
CP0555905
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-[[1-[2-[(2-cyano-2-methylpropyl)-pyridin-2-ylcarbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H42N4O5
|
||||||||||||||||||
| Molecular Weight |
610.755
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C(=O)N(CC(C)(C)C#N)c2ccccn2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H42N4O5/c1-36(2,23-37)24-40(33-9-4-5-16-38-33)35(43)30-13-12-28(44-3)20-32(30)39-17-14-25(15-18-39)22-45-29-8-6-7-27(19-29)31(21-34(41)42)26-10-11-26/h4-9,12-13,16,19-20,25-26,31H,10-11,14-15,17-18,21-22,24H2,1-3H3,(H,41,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KNOIONNTORPZTC-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