General Information of the Compound
Compound ID |
CP0440417
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
N-(2-methylcyclohexyl)-1-[5-[5-[[(5-methylpyrazin-2-yl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C24H33N9OS
|
||||||||||||||||||
Molecular Weight |
495.657
|
||||||||||||||||||
Canonical SMILES |
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1cnc(C)cn1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C24H33N9OS/c1-16-5-3-4-6-20(16)29-22(34)18-8-11-32(12-9-18)23-30-31-24(35-23)33-19(7-10-28-33)14-27-21-15-25-17(2)13-26-21/h7,10,13,15-16,18,20H,3-6,8-9,11-12,14H2,1-2H3,(H,26,27)(H,29,34)
Show/Hide
|
||||||||||||||||||
InChIKey |
XCPCXJRSRKPYJT-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