General Information of the Compound
Compound ID
CP0911608
Compound Name
2-[(3-chloro-1H-inden-2-yl)methylene]hydrazinecarboximidamide
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Structure
Formula
C11H11ClN4
Molecular Weight
234.69
Canonical SMILES
N=C(N)N/N=C/C1=C(Cl)c2ccccc2C1
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InChI
InChI=1S/C11H11ClN4/c12-10-8(6-15-16-11(13)14)5-7-3-1-2-4-9(7)10/h1-4,6H,5H2,(H4,13,14,16)/b15-6+
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InChIKey
OYRANEHEWBHSDB-GIDUJCDVSA-N
Physicochemical Property
logP
1.66147
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
74.26
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 44588413
ChEMBL ID
CHEMBL456598
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: PT06335, Envelope glycoprotein gp70
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000209 HEC-1 Homo sapiens (Human)  1
1
IC50 = 6800 nM
   TI
   LI
   LO
   TS
Protein ID: PT06742, Gag polyprotein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000209 HEC-1 Homo sapiens (Human)  1
1
IC50 = 1300 nM
   TI
   LI
   LO
   TS