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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2094020
CHEMBL2094020
Compound Name CHLOROZOTOCIN
ChEMBL Synonyms CZT | Chlorozotocin
Max Phase 0
Trade Names
Molecular Formula C9H16ClN3O7

Additional synonyms for CHEMBL2094020 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1OC(O)[C@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@@H]1O
Standard InChI InChI=1S/C9H16ClN3O7/c10-1-2-13(12-19)9(18)11-5-7(16)6(15)4( ...
Download InChI
Standard InChI Key MYBLAOJMRYYKMS-RTRLPJTCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2094020

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
313.7 313.0677 -2.28 5 151.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 5 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.92 - -.61 -.65 0 20 0.22

Structural Alerts

There are 22 structural alerts for CHEMBL2094020. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MYBLAOJMRYYKMS-RTRLPJTCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2094020



DrugCentral 612
PubChem 12600646
PubChem: Drugs of the Future 22395176
SureChEMBL SCHEMBL11409480

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