General Information of the Compound
| Compound ID |
CP0482188
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-fluorophenyl)-4-piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17FN6
|
||||||||||||||||||
| Molecular Weight |
312.352
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(N2CCNCC2)c2cc([nH]c2n1)-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17FN6/c17-11-3-1-10(2-4-11)13-9-12-14(20-13)21-16(18)22-15(12)23-7-5-19-6-8-23/h1-4,9,19H,5-8H2,(H3,18,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GNWGWEURGWIICQ-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
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor