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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3301667
CHEMBL3301667
Compound Name CALCIUM CARBIMIDE
ChEMBL Synonyms CARBODIMID CALCIUM | CYANAMIDE | CALCIUM CARBIMIDE
Max Phase 0
Trade Names
Molecular Formula CCaN2

Additional synonyms for CHEMBL3301667 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Ca+2].[N-]=C=[N-]
Standard InChI InChI=1S/CN2.Ca/c2-1-3;/q-2;+2
Standard InChI Key MYFXBBAEXORJNB-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL3301667

Molecule Features

CHEMBL3301667 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:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AlcoholismD000437EFO:0003829alcohol dependence0ATC

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
42 42.0218 0.32 0 47.7 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .41 .41 0 3 0.37

Structural Alerts

There are 10 structural alerts for CHEMBL3301667. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N07 - OTHER NERVOUS SYSTEM DRUGS
N07B - DRUGS USED IN ADDICTIVE DISORDERS
N07BB - Drugs used in alcohol dependence
N07BB02 - calcium carbimide

ChemSpider ChemSpider:MYFXBBAEXORJNB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3301667



ChEBI 64301
DrugBank DB09116
eMolecules 32177176
EPA CompTox Dashboard DTXSID6020353
FDA SRS ZLR270912W
KEGG Ligand C19113
PubChem 15361820 56955933

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