General Information of the Compound
Compound ID
CP0865101
Compound Name
9-Amino-N-(diaminomethylene)-9H-fluorene-2-carboxamide dihydrochloride
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Structure
Formula
C15H15ClN4O
Molecular Weight
302.765
Canonical SMILES
Cl.NC(N)=NC(=O)c1ccc2c(c1)C(N)c1ccccc1-2
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InChI
InChI=1S/C15H14N4O.ClH/c16-13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)13)14(20)19-15(17)18;/h1-7,13H,16H2,(H4,17,18,19,20);1H
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InChIKey
SWESLPICXNNAHD-UHFFFAOYSA-N
Physicochemical Property
logP
1.5505
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
107.49
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: 118706297
ChEMBL ID
CHEMBL3310120
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
Ki = 18 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 = 43 nM
   TI
   LI
   LO
   TS