General Information of the Compound
Compound ID
CP0554015
Compound Name
(2S)-1-(7-methylfuro[2,3-g]indazol-1-yl)propan-2-amine
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Structure
Formula
C13H15N3O
Molecular Weight
229.283
Canonical SMILES
C[C@H](N)Cn1ncc2ccc3oc(C)cc3c12
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InChI
InChI=1S/C13H15N3O/c1-8(14)7-16-13-10(6-15-16)3-4-12-11(13)5-9(2)17-12/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1
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InChIKey
IYCYBBKOARJBGP-QMMMGPOBSA-N
Physicochemical Property
logP
2.43812
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
56.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 44452754
ChEMBL ID
CHEMBL408579
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 = 0.78 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 = 0.2 nM
   TI
   LI
   LO
   TS