General Information of the Compound
Compound ID
CP0896532
Compound Name
N-(5-fluoro-2-methylbenzyl)-5-(6-methyl-2,3-dihydro-1H-inden-5-yl)pyridin-2-amine
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Structure
Formula
C23H23FN2
Molecular Weight
346.449
Canonical SMILES
Cc1ccc(F)cc1CNc1ccc(-c2cc3c(cc2C)CCC3)cn1
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InChI
InChI=1S/C23H23FN2/c1-15-6-8-21(24)11-20(15)14-26-23-9-7-19(13-25-23)22-12-18-5-3-4-17(18)10-16(22)2/h6-13H,3-5,14H2,1-2H3,(H,25,26)
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InChIKey
KEYAZXGVDHLFKM-UHFFFAOYSA-N
Physicochemical Property
logP
5.60534
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
24.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 71105438
ChEMBL ID
CHEMBL3733145
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: PT06374, Calcium release-activated calcium channel protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000278 RBL-2H3 Rattus norvegicus (Rat)  1
1
IC50 < 600 nM
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