General Information of the Compound
Compound ID
CP0718312
Compound Name
N-(9-Hydroxy-9H-fluorene-2-carbonyl)guanidinemonohydrochloride
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Structure
Formula
C15H14ClN3O2
Molecular Weight
303.749
Canonical SMILES
Cl.NC(N)=NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2
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InChI
InChI=1S/C15H13N3O2.ClH/c16-15(17)18-14(20)8-5-6-10-9-3-1-2-4-11(9)13(19)12(10)7-8;/h1-7,13,19H,(H4,16,17,18,20);1H
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InChIKey
KJPICQIEXXARFA-UHFFFAOYSA-N
Physicochemical Property
logP
1.5841
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
101.7
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 23151759
ChEMBL ID
CHEMBL3092759
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
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
IC50 = 19.6 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1.8 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 = 17.6 nM
   TI
   LI
   LO
   TS