General Information of the Compound
Compound ID
CP0096282
Compound Name
EHT-0202
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Synonyms
EHT-0202
Etazolate
Etazolate hydrochloride
SQ-20009
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Structure
Formula
C14H19N5O2
Molecular Weight
289.339
Canonical SMILES
CCOC(=O)c1cnc2n(CC)ncc2c1NN=C(C)C
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InChI
InChI=1S/C14H19N5O2/c1-5-19-13-10(8-16-19)12(18-17-9(3)4)11(7-15-13)14(20)21-6-2/h7-8H,5-6H2,1-4H3,(H,15,18)
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InChIKey
OPQRBXUBWHDHPQ-UHFFFAOYSA-N
CAS
51022-77-6
Physicochemical Property
logP
2.4356
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
81.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 3277
SID: 12012723
ChEMBL ID
CHEMBL356388
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: PT02805, CREB-binding protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Potency = 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Etazolate )
Drug Name Etazolate
Company Exonhit
Indication
Neurodegenerative disorder
Phase 2