General Information of the Compound
Compound ID
CP0848259
Compound Name
N-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)cyclopropanesulfonamide
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Structure
Formula
C18H20F3N3O2S
Molecular Weight
399.438
Canonical SMILES
O=S(=O)(NCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)C1CC1
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InChI
InChI=1S/C18H20F3N3O2S/c19-18(20,21)17-15-3-1-2-4-16(15)24(23-17)13-7-5-12(6-8-13)11-22-27(25,26)14-9-10-14/h5-8,14,22H,1-4,9-11H2
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InChIKey
ZNIGCHIXGDYVHL-UHFFFAOYSA-N
Physicochemical Property
logP
3.3517
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
63.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 24826369
SID: 49847728
ChEMBL ID
CHEMBL1649679
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: PT01829, Glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 10000 nM
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