General Information of the Compound
| Compound ID |
CP0496095
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-cyano-N-[(3R)-3-[4-[4-methoxy-N-[(4-methylpyridin-3-yl)methyl]anilino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H40N6O2
|
||||||||||||||||||
| Molecular Weight |
540.712
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H40N6O2/c1-22-10-14-34-20-26(22)21-38(28-6-8-30(40-5)9-7-28)29-12-16-37(17-13-29)24(3)11-15-35-32(39)31-23(2)18-27(19-33)36-25(31)4/h6-10,14,18,20,24,29H,11-13,15-17,21H2,1-5H3,(H,35,39)/t24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UFQLEBFCVYAKJZ-XMMPIXPASA-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