General Information of the Compound
Compound ID
CP0386985
Compound Name
5-[(4-fluorophenyl)sulfonylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
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Structure
Formula
C19H25FN4O3S
Molecular Weight
408.499
Canonical SMILES
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NS(=O)(=O)c1ccc(F)cc1
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InChI
InChI=1S/C19H25FN4O3S/c1-4-11-24-17-10-7-14(12-16(17)18(21-24)19(25)23(2)3)22-28(26,27)15-8-5-13(20)6-9-15/h5-6,8-9,14,22H,4,7,10-12H2,1-3H3
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InChIKey
CQJYGJIRISQNLZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.9698
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
84.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 146597638
ChEMBL ID
CHEMBL4472018
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: PT01509, Sigma non-opioid intracellular receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS