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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL536375
CHEMBL536375
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H29N5O2S

Additional synonyms for CHEMBL536375 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2c3cccs3)c4ccccc4)cc1
Standard InChI InChI=1S/C27H29N5O2S/c1-3-31(4-2)17-16-28-26(33)20-12-14-21( ...
Download InChI
Standard InChI Key CLEJNLVRUMTEIS-UHFFFAOYSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL536375. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL536375

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
487.6 487.2042 4.79 10 107.5 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.98 9.09 4.06 2.18 4 35 0.34

Compound Cross References

ChemSpider ChemSpider:CLEJNLVRUMTEIS-UHFFFAOYSA-N
PubChem SID: 24829034

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL536375



BindinDB 51855
eMolecules 31310689
Mcule MCULE-4208745237
MolPort MolPort-009-025-026
PubChem 2329736

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