General Information of the Compound
| Compound ID |
CP0546895
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)-N-prop-2-enoylprop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23N5O2
|
||||||||||||||||||
| Molecular Weight |
425.492
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(ncnc12)N(C(=O)C=C)C(=O)C=C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23N5O2/c1-6-19(31)29(20(32)7-2)23-21-22(18-13-12-16-10-8-9-11-17(16)14-18)28-30(25(3,4)5)24(21)27-15-26-23/h6-15H,1-2H2,3-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GBJJSEKFTDIZAD-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