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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL362016
CHEMBL362016
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H35N5O2

Additional synonyms for CHEMBL362016 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)Cc1nc(c2ccc(CN3CCC(CC3)n4c(O)nc5ccccc45)cc2)c(nc1O)c6cc ...
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Standard InChI InChI=1S/C33H35N5O2/c1-22(2)20-28-32(39)36-31(24-8-4-3-5-9-2 ...
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Standard InChI Key RPSREAHMBSYUSD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL362016

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
533.7 533.2791 6.61 7 87.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 2 7 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.41 7.44 6.55 5.66 5 40 0.24

Structural Alerts

There are no structural alerts for CHEMBL362016

Compound Cross References

ChemSpider ChemSpider:RPSREAHMBSYUSD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL362016



BindingDB 15160
IBM Patent System 24605EF4EA732586500C69D57536909D 2E9AFF6B5454F440E1A490F03EEE4EBE
PubChem 10218178
PubChem: Thomson Pharma 15217210
SureChEMBL SCHEMBL2437301
ZINC ZINC000003819037

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