General Information of the Compound
Compound ID
CP0393285
Compound Name
CHEMBL359549
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Formula
C24H26FN3O
Molecular Weight
391.49
Canonical SMILES
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCOc3cccc4[nH]ccc34)c2c1
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InChI
InChI=1S/C24H26FN3O/c25-17-6-9-23-20(14-17)21(15-28-23)16-4-7-18(8-5-16)26-12-13-29-24-3-1-2-22-19(24)10-11-27-22/h1-3,6,9-11,14-16,18,26-28H,4-5,7-8,12-13H2/t16-,18-
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InChIKey
LSKXJEHUQFPEHI-SAABIXHNSA-N
Physicochemical Property
logP
5.4831
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
52.84
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
29

"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
SID: 14780786
ChEMBL ID
CHEMBL359549
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
Ki = 1.08 nM
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