General Information of the Compound
Compound ID
CP0388698
Compound Name
1-benzotellurophen-2-yl-[4-fluoro-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
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Structure
Formula
C22H24FN3OTe
Molecular Weight
493.052
Canonical SMILES
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C2=Cc3ccccc3[Te]2)nc1
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InChI
InChI=1S/C22H24FN3OTe/c1-16-6-7-18(25-13-16)14-24-15-22(23)8-10-26(11-9-22)21(27)20-12-17-4-2-3-5-19(17)28-20/h2-7,12-13,24H,8-11,14-15H2,1H3
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InChIKey
FQADKZQHPZHABG-UHFFFAOYSA-N
Physicochemical Property
logP
3.33432
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
45.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 49782388
SID: 103054900
ChEMBL ID
CHEMBL1259036
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 36 nM
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