General Information of the Compound
| Compound ID |
CP0562315
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-N-(2,2-dimethylpropyl)-N-[[4-[(E)-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]methyl]pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H42ClN5
|
||||||||||||||||||
| Molecular Weight |
496.143
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)CN(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)c1ccnc(Cl)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H42ClN5/c1-29(2,3)23-35(27-13-16-31-28(30)32-27)22-25-11-9-24(10-12-25)8-7-17-33-20-14-26(15-21-33)34-18-5-4-6-19-34/h7-13,16,26H,4-6,14-15,17-23H2,1-3H3/b8-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
HESMKFIDYQGWOX-BQYQJAHWSA-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