General Information of the Compound
Compound ID
CP0874364
Compound Name
N-(9H-Fluorene-1-carbonyl)guanidinemonohydrochloride
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Structure
Formula
C15H14ClN3O
Molecular Weight
287.75
Canonical SMILES
Cl.NC(N)=NC(=O)c1cccc2c1Cc1ccccc1-2
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InChI
InChI=1S/C15H13N3O.ClH/c16-15(17)18-14(19)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12;/h1-7H,8H2,(H4,16,17,18,19);1H
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InChIKey
VPYKKGSVLOVFNC-UHFFFAOYSA-N
Physicochemical Property
logP
2.0932
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
81.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 72735038
ChEMBL ID
CHEMBL3092760
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: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 239 nM
   TI
   LI
   LO
   TS