General Information of the Compound
| Compound ID |
CP0542299
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[2-[3-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]benzimidazol-1-yl]phenyl]-N-methylprop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H31N9O
|
||||||||||||||||||
| Molecular Weight |
533.64
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)C=C)c1cccc(c1)-n1c(nc2ccccc12)-c1nc(cnc1N)-c1cnn(c1)C1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H31N9O/c1-4-27(40)37(3)22-8-7-9-23(16-22)39-26-11-6-5-10-24(26)35-30(39)28-29(31)32-18-25(34-28)20-17-33-38(19-20)21-12-14-36(2)15-13-21/h4-11,16-19,21H,1,12-15H2,2-3H3,(H2,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BZIOAGRFGNNRKD-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