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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1405447
CHEMBL1405447
Compound Name VITAMIN K3H2
ChEMBL Synonyms Vitamin K3H2
Max Phase 0
Trade Names
Molecular Formula C11H10O2

Additional synonyms for CHEMBL1405447 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(O)c2ccccc2c1O
Standard InChI InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12 ...
Download InChI
Standard InChI Key ZJTLZYDQJHKRMQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1405447

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
174.2 174.0681 2.56 0 40.46 NEUTRAL


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
10.62 - 2.19 2.19 2 13 0.6

Structural Alerts

There are 2 structural alerts for CHEMBL1405447. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZJTLZYDQJHKRMQ-UHFFFAOYSA-N
PubChem SID: 144205699 SID: 170465455 SID: 26757930

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1405447



ACToR 481-85-6
Brenda 6752 2111 5213 21698
ChEBI 6746
eMolecules 36553897
EPA CompTox Dashboard DTXSID5023247
FDA SRS VQ093653DO
IBM Patent System 1082600985AF0DCBA94DEB7F51CE8FFA
KEGG Ligand C07126
MolPort MolPort-006-111-404
Nikkaji J30.357G
PDBe 17Z
PubChem 10209
PubChem: Thomson Pharma 14818467
Rhea 6746
SureChEMBL SCHEMBL297164
ZINC ZINC000018120050

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