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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL6597
CHEMBL6597
Compound Name Ro-154513
ChEMBL Synonyms Ro-154513 | SID26753182
Max Phase 0
Trade Names
Molecular Formula C15H14N6O3

Additional synonyms for CHEMBL6597 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(ccc23)N=[N+]=[N-]
Standard InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9( ...
Download InChI
Standard InChI Key CFSOJZTUTOQNIA-UHFFFAOYSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL6597

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
326.3 326.1127 2.07 0 4 No Yes NEUTRAL


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- .81 2.59 2.59 2 24 4 0.37

Compound Cross References

ChemSpider ChemSpider:CFSOJZTUTOQNIA-UHFFFAOYSA-N
PubChem SID: 26753182
Wikipedia Ro15-4513

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL6597



PubChem: Drugs of the Future 12013972
ZINC ZINC08022464
eMolecules 594033
PubChem: Thomson Pharma 14924107
PubChem 5081

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