General Information of the Compound
Compound ID
CP0860641
Compound Name
2-(4-chloro-3-(trifluoromethyl)benzylidene)hydrazinecarboximidamide
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Structure
Formula
C9H8ClF3N4
Molecular Weight
264.638
Canonical SMILES
N=C(N)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1
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InChI
InChI=1S/C9H8ClF3N4/c10-7-2-1-5(4-16-17-8(14)15)3-6(7)9(11,12)13/h1-4H,(H4,14,15,17)/b16-4+
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InChIKey
SYKKEBRXRXCNEC-AYSLTRBKSA-N
Physicochemical Property
logP
2.17577
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
74.26
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 44542178
SID: 92726577
ChEMBL ID
CHEMBL583068
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: PT04406, Neuropeptide FF receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 2370 nM
   TI
   LI
   LO
   TS
Protein ID: PT02666, Neuropeptide FF receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 1189 nM
   TI
   LI
   LO
   TS