General Information of the Compound
| Compound ID |
CP0390850
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[[2-[3-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]benzimidazol-1-yl]methyl]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H31N9O
|
||||||||||||||||||
| Molecular Weight |
533.64
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1Cc1cccc(NC(=O)C=C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H31N9O/c1-3-27(40)34-22-8-6-7-20(15-22)18-38-26-10-5-4-9-24(26)36-30(38)28-29(31)32-17-25(35-28)21-16-33-39(19-21)23-11-13-37(2)14-12-23/h3-10,15-17,19,23H,1,11-14,18H2,2H3,(H2,31,32)(H,34,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
USSKRCQDDVHMIX-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