General Information of the Compound
| Compound ID |
CP0955984
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(4-[4-[(5-Isopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl)piperidin-1-yl]prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Formula |
C29H38N8O
|
||||||||||||||||||
| Molecular Weight |
514.678
|
||||||||||||||||||
| Canonical SMILES |
C=CC(=O)N1CCC(c2ccc(-c3nc(Nc4cc(C(C)C)[nH]n4)cc(N4CCN(C)CC4)n3)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38N8O/c1-5-28(38)37-12-10-22(11-13-37)21-6-8-23(9-7-21)29-31-25(30-26-18-24(20(2)3)33-34-26)19-27(32-29)36-16-14-35(4)15-17-36/h5-9,18-20,22H,1,10-17H2,2-4H3,(H2,30,31,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VWJDYHIBQQWFTB-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 | |||||||||||||||||||
| 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