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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL508490
CHEMBL508490
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H16Cl2N2O3

Additional synonyms for CHEMBL508490 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)Oc2ccc(cc2[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)[C@@H]1O)C#N
Standard InChI InChI=1S/C19H16Cl2N2O3/c1-19(2)17(24)16(12-7-10(9-22)3-6-15( ...
Download InChI
Standard InChI Key ZPTXVIWXGDGGTD-SJORKVTESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL508490

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
391.3 390.0538 3.73 2 82.35 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.87 - 4.62 4.62 2 26 0.82

Structural Alerts

There are no structural alerts for CHEMBL508490

Compound Cross References

ChemSpider ChemSpider:ZPTXVIWXGDGGTD-SJORKVTESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL508490



BindingDB 50247708
PubChem 44564183
SureChEMBL SCHEMBL8336223
ZINC ZINC000040379561

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