General Information of the Compound
Compound ID
CP0483188
Compound Name
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanol
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Structure
Formula
C14H14N4OS
Molecular Weight
286.36
Canonical SMILES
Cc1nnc2sc(C(O)c3cccnc3)c(N)c2c1C
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InChI
InChI=1S/C14H14N4OS/c1-7-8(2)17-18-14-10(7)11(15)13(20-14)12(19)9-4-3-5-16-6-9/h3-6,12,19H,15H2,1-2H3
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InChIKey
JJFNUJCPRRSOPB-UHFFFAOYSA-N
Physicochemical Property
logP
2.36704
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
84.92
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
20

"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).

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PubChem ID
CID: 155563154
ChEMBL ID
CHEMBL4573303
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: PT01156, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01736, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS