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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL330335
CHEMBL330335
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H24FN5O5S

Additional synonyms for CHEMBL330335 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(CCC)c2[nH]c(CCNC(=O)c3cccc(c3)S(=O)(=O)F)nc2C1=O
Standard InChI InChI=1S/C20H24FN5O5S/c1-3-10-25-17-16(19(28)26(11-4-2)20(25 ...
Download InChI
Standard InChI Key QNIVOVVBDSGOEM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL330335

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
465.5 465.1482 1.34 9 135.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.75 1.77 3.26 3.24 3 32 0.46

Structural Alerts

There are 14 structural alerts for CHEMBL330335. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QNIVOVVBDSGOEM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL330335



BindingDB 50039685
Nikkaji J602.079H
PubChem 10367224
PubChem: Thomson Pharma 15380733
ZINC ZINC000012405651

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