General Information of the Compound
| Compound ID |
CP0476635
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-hydroxy-3-[4-[3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propylamino]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21N7O2
|
||||||||||||||||||
| Molecular Weight |
403.446
|
||||||||||||||||||
| Canonical SMILES |
ONC(=O)\C=C\c1ccc(NCCCn2cc(cn2)-c2ncnc3[nH]ccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N7O2/c29-19(27-30)7-4-15-2-5-17(6-3-15)22-9-1-11-28-13-16(12-26-28)20-18-8-10-23-21(18)25-14-24-20/h2-8,10,12-14,22,30H,1,9,11H2,(H,27,29)(H,23,24,25)/b7-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YUXALDSNHVMDFU-QPJJXVBHSA-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