General Information of the Compound
Compound ID
CP0373359
Compound Name
(2S)-1-(3-propylfuro[2,3-g]indazol-1-yl)propan-2-amine
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Structure
Formula
C15H19N3O
Molecular Weight
257.337
Canonical SMILES
CCCc1nn(C[C@H](C)N)c2c1ccc1occc21
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InChI
InChI=1S/C15H19N3O/c1-3-4-13-11-5-6-14-12(7-8-19-14)15(11)18(17-13)9-10(2)16/h5-8,10H,3-4,9,16H2,1-2H3/t10-/m0/s1
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InChIKey
WZAFAUOENVVWSZ-JTQLQIEISA-N
Physicochemical Property
logP
3.0822
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
56.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 44452785
ChEMBL ID
CHEMBL404970
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 64 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 25 nM
   TI
   LI
   LO
   TS