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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106941
CHEMBL2106941
Compound Name PIVHYDRAZINE
ChEMBL Synonyms PIVHYDRAZINE
Max Phase 0
Trade Names
Molecular Formula C12H18N2O

Additional synonyms for CHEMBL2106941 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)C(=O)NNCc1ccccc1
Standard InChI InChI=1S/C12H18N2O/c1-12(2,3)11(15)14-13-9-10-7-5-4-6-8-10/h ...
Download InChI
Standard InChI Key FWWDFDMCZLOXQI-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106941

Molecule Features

CHEMBL2106941 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PIVHYDRAZINE
The Cochrane Collaboration PIVHYDRAZINE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
206.3 206.1419 1.85 3 41.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.41 4.25 1.93 1.93 1 15 0.74

Structural Alerts

There are 6 structural alerts for CHEMBL2106941. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FWWDFDMCZLOXQI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106941



ACToR 306-19-4
ChEBI 134868
DrugBank DB09252
DrugCentral 3819
eMolecules 10169720
EPA CompTox Dashboard DTXSID50184667
FDA SRS TK1T520ASG
IBM Patent System 79D83C7532668B201C12C08C3689783C
MolPort MolPort-006-111-182
Nikkaji J5.498D
PubChem 9375
PubChem: Thomson Pharma 15340747
SureChEMBL SCHEMBL149084 SCHEMBL20394102
ZINC ZINC000000001967

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FWWDFDMCZLOXQI-UHFFFAOYSA-N spacer
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