General Information of the Compound
Compound ID
CP0501930
Compound Name
1-(4-chlorophenyl)-2-cyclopropyl-N-(3,5-difluorophenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
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Structure
Formula
C23H24ClF2N3O
Molecular Weight
431.914
Canonical SMILES
Fc1cc(F)cc(NC(=O)N2CCC3(CN(C4CC4)C3c3ccc(Cl)cc3)CC2)c1
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InChI
InChI=1S/C23H24ClF2N3O/c24-16-3-1-15(2-4-16)21-23(14-29(21)20-5-6-20)7-9-28(10-8-23)22(30)27-19-12-17(25)11-18(26)13-19/h1-4,11-13,20-21H,5-10,14H2,(H,27,30)
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InChIKey
QUWIYNVUJSOJOP-UHFFFAOYSA-N
Physicochemical Property
logP
5.4516
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
30

"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: 24898117
SID: 53782473
ChEMBL ID
CHEMBL1210205
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 = 398 nM
   TI
   LI
   LO
   TS