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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL60163
CHEMBL60163
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H31N3O3S

Additional synonyms for CHEMBL60163 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCO[C@@H]1CC[C@@](CS)(CC1)C(=O)N[C@@H](Cc2cccnc2)C(=O)Nc3ccc ...
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Standard InChI InChI=1S/C24H31N3O3S/c1-2-30-20-10-12-24(17-31,13-11-20)23(2 ...
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Standard InChI Key AIUZDSNPOMYIIA-AWRGLXIESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL60163

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
441.6 441.2086 3.64 9 80.32 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.34 5.11 2.74 2.74 2 31 0.52

Structural Alerts

There are 8 structural alerts for CHEMBL60163. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AIUZDSNPOMYIIA-AWRGLXIESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL60163



BindingDB 50073893
IBM Patent System 6A88CFCA62FDDEA69271020D726DBAD5
PubChem: Thomson Pharma 15007917
SureChEMBL SCHEMBL7972566
ZINC ZINC000100025026

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