General Information of the Compound
| Compound ID |
CP0466397
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-3-cyclopropyl-3-[2-[[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]pyridin-4-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C36H46N4O5
|
||||||||||||||||||
| Molecular Weight |
614.787
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N1CCC(COc2cc(ccn2)[C@H](CC(O)=O)C2CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H46N4O5/c1-24-7-6-8-32(38-24)40(23-36(2,3)4)35(43)29-12-11-28(44-5)20-31(29)39-17-14-25(15-18-39)22-45-33-19-27(13-16-37-33)30(21-34(41)42)26-9-10-26/h6-8,11-13,16,19-20,25-26,30H,9-10,14-15,17-18,21-23H2,1-5H3,(H,41,42)/t30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VVRXREQIOCYUKN-SSEXGKCCSA-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