General Information of the Compound
Compound ID
CP0848922
Compound Name
N-(Diaminomethylene)-9H-carbazole-2-carboxamidemonohydrochloride
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Structure
Formula
C14H13ClN4O
Molecular Weight
288.738
Canonical SMILES
Cl.NC(N)=NC(=O)c1ccc2c(c1)[nH]c1ccccc12
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InChI
InChI=1S/C14H12N4O.ClH/c15-14(16)18-13(19)8-5-6-10-9-3-1-2-4-11(9)17-12(10)7-8;/h1-7,17H,(H4,15,16,18,19);1H
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InChIKey
FVDABCZASVVGEV-UHFFFAOYSA-N
Physicochemical Property
logP
2.1565
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
97.26
Hydrogen Bond Donor Count
3
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: 72734863
ChEMBL ID
CHEMBL3092755
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 = 10 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 = 42 nM
   TI
   LI
   LO
   TS