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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL370100
CHEMBL370100
Compound Name REBECCAMYCIN
ChEMBL Synonyms Rebeccamycin
Max Phase 0
Trade Names
Molecular Formula C27H21Cl2N3O7

Additional synonyms for CHEMBL370100 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@@H]1[C@@H](CO)O[C@H]([C@H](O)[C@H]1O)n2c3c(Cl)cccc3c4c5 ...
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Standard InChI InChI=1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34 ...
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Standard InChI Key QEHOIJJIZXRMAN-QZQSLCQPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL370100

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
570.4 569.0757 3.25 3 146.04 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 5 1 10 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.31 - 4.82 4.81 5 39 0.21

Structural Alerts

There are 2 structural alerts for CHEMBL370100. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QEHOIJJIZXRMAN-QZQSLCQPSA-N
Wikipedia Rebeccamycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL370100



BindingDB 50162287
Brenda 18444
ChEBI 135511
eMolecules 594081
EPA CompTox Dashboard DTXSID70239880
FDA SRS Y96MQM21V9
IBM Patent System 7014FB9891F8850E6EFCAE9A2E83A612
MolPort MolPort-003-959-454
Nikkaji J138.395G
PubChem 73110
PubChem: Thomson Pharma 14764252
Rhea 135511
SureChEMBL SCHEMBL24695
ZINC ZINC000028520217

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