General Information of the Compound
| Compound ID |
CP0011737
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)pyridin-3-yl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N5O2
|
||||||||||||||||||
| Molecular Weight |
417.513
|
||||||||||||||||||
| Canonical SMILES |
CC1COCCN1Cc1ccc(NC(=O)\C=C\c2cnccc2-c2cnn(C)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N5O2/c1-18-17-31-12-11-29(18)15-19-3-6-22(7-4-19)27-24(30)8-5-20-13-25-10-9-23(20)21-14-26-28(2)16-21/h3-10,13-14,16,18H,11-12,15,17H2,1-2H3,(H,27,30)/b8-5+
Show/Hide
|
||||||||||||||||||
| InChIKey |
BSOKQZFUZVLTAW-VMPITWQZSA-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