General Information of the Compound
Compound ID
CP0473607
Compound Name
2-(3,4-difluorophenyl)-1-oxo-3-(pyridin-2-yl)-N-(3-(trifluoromethyl)phenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
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Structure
Formula
C26H21F5N4O2
Molecular Weight
516.47
Canonical SMILES
Fc1ccc(cc1F)N1C(c2ccccn2)C2(CCN(CC2)C(=O)Nc2cccc(c2)C(F)(F)F)C1=O
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InChI
InChI=1S/C26H21F5N4O2/c27-19-8-7-18(15-20(19)28)35-22(21-6-1-2-11-32-21)25(23(35)36)9-12-34(13-10-25)24(37)33-17-5-3-4-16(14-17)26(29,30)31/h1-8,11,14-15,22H,9-10,12-13H2,(H,33,37)
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InChIKey
BPHWNJKVRYIGRB-UHFFFAOYSA-N
Physicochemical Property
logP
5.7808
Rotatable Bonds
3
Heavy Atom Count
37
Polar Areas
65.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
37

"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: 49863174
ChEMBL ID
CHEMBL1210629
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: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 283 nM
   TI
   LI
   LO
   TS