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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL29709
CHEMBL29709
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C37H41N3O5S2

Additional synonyms for CHEMBL29709 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCSCc1ccc2c(c1)c3c4C(=O)NCc4c5c6cc(CSCCCC)ccc6n7c5c3n2[C@H ...
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Standard InChI InChI=1S/C37H41N3O5S2/c1-5-7-13-46-19-21-9-11-26-23(15-21)30 ...
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Standard InChI Key CMAAJKFJPMUHEN-ZTALTGERSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL29709

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
671.9 671.2488 7.72 11 94.72 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 2 8 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.94 - 8.56 8.56 5 47 0.11

Structural Alerts

There are 4 structural alerts for CHEMBL29709. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CMAAJKFJPMUHEN-ZTALTGERSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL29709



PubChem 10604501
PubChem: Thomson Pharma 15633816
ZINC ZINC000029306651

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