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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2041175
CHEMBL2041175
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H27N7O3S

Additional synonyms for CHEMBL2041175 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccnc1CN2CCC3(CC2)N(C(=O)N(C3=O)c4ccc(cc4)c5ccc6scnc6c5)c ...
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Standard InChI InChI=1S/C31H27N7O3S/c1-20-3-2-12-32-25(20)17-36-13-10-31(11 ...
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Standard InChI Key GZOBVYAVRWIDTA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2041175

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
577.7 577.1896 5.17 5 115.65 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 1 2 10 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.59 4.73 2.76 5 42 0.28

Structural Alerts

There are 1 structural alerts for CHEMBL2041175. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GZOBVYAVRWIDTA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2041175



BindingDB 50385788
PubChem 57384480
PubChem: Thomson Pharma 136914332
ZINC ZINC000084725498

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