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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL66990
CHEMBL66990
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H21ClN4O2S

Additional synonyms for CHEMBL66990 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(Cl)c1NC(=O)c2ccc3nc(NC(=O)NC4CCCC4)sc3c2
Standard InChI InChI=1S/C21H21ClN4O2S/c1-12-5-4-8-15(22)18(12)25-19(27)13-9 ...
Download InChI
Standard InChI Key GZCJXHBOLVLPIV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL66990

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
429 428.1074 5.57 4 83.12 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 1 6 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.27 .67 3.61 3.41 3 29 0.51

Structural Alerts

There are 1 structural alerts for CHEMBL66990. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GZCJXHBOLVLPIV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL66990



BindingDB 50129309
IBM Patent System 0260FC0EF8900F2B2524AE0BEF922DA0
PubChem 22634236
SureChEMBL SCHEMBL6058363
ZINC ZINC000013534050

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