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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL536187
CHEMBL536187
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H29Cl2N5O2S

Additional synonyms for CHEMBL536187 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(c4ccc(Cl)cc4)c3s2) ...
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Standard InChI InChI=1S/C26H28ClN5O2S.ClH/c1-4-31(5-2)15-14-28-24(33)18-6-1 ...
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Standard InChI Key DONFFQXCHUQPIC-UHFFFAOYSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL536187. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL536187

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
510.1 509.1652 4.86 9 107.5 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.82 9.09 3.03 1.18 4 35 0.34

Compound Cross References

ChemSpider ChemSpider:DONFFQXCHUQPIC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL536187



Mcule MCULE-2107596036
PubChem 16237780

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