General Information of the Compound
Compound ID
CP0389218
Compound Name
(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)hydrazine
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Structure
Formula
C5H2Cl4N2
Molecular Weight
231.897
Canonical SMILES
NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl
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InChI
InChI=1S/C5H2Cl4N2/c6-1-2(7)4(9)5(11-10)3(1)8/h10H2
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InChIKey
WFSIMDXRURSONJ-UHFFFAOYSA-N
CAS
17581-52-1
21572-61-2
Physicochemical Property
logP
2.6931
Rotatable Bonds
0
Heavy Atom Count
11
Polar Areas
38.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
11

"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: 277512
SID: 16192614
ChEMBL ID
CHEMBL1898589
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: PT06430, DEP domain-containing mTOR-interacting protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000186 RPMI-8226 Homo sapiens (Human)  1
1
IC50 = 1300 nM
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