General Information of the Compound
Compound ID
CP0894176
Compound Name
2-Amino-6-methyl-N'-phenyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbohydrazide hydrochloride
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Structure
Formula
C15H19ClN4OS
Molecular Weight
338.864
Canonical SMILES
CN1CCc2c(sc(N)c2C(=O)NNc2ccccc2)C1.Cl
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InChI
InChI=1S/C15H18N4OS.ClH/c1-19-8-7-11-12(9-19)21-14(16)13(11)15(20)18-17-10-5-3-2-4-6-10;/h2-6,17H,7-9,16H2,1H3,(H,18,20);1H
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InChIKey
ABRBJQDNPRYABU-UHFFFAOYSA-N
Physicochemical Property
logP
2.4969
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
70.39
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 46227349
ChEMBL ID
CHEMBL609297
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: PT00840, Adenosine receptor A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 11500 nM
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