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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL505512
CHEMBL505512
Compound Name TAUTOMYCIN
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C41H66O13

Additional synonyms for CHEMBL505512 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[ ...
Download SMILES
Standard InChI InChI=1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(4 ...
Download InChI
Standard InChI Key RFCWHQNNCOJYTR-IRCAEPKSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL505512

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
767 766.4503 4.96 21 192.18 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 3 2 13 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.33 - 3.73 3.73 0 54 0.11

Structural Alerts

There are 14 structural alerts for CHEMBL505512. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RFCWHQNNCOJYTR-IRCAEPKSSA-N
Wikipedia Tautomycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL505512



ACToR 109946-35-2
BindingDB 50366883
ChEBI 9414
IBM Patent System F3E1ADDF68DDCD2C619E925846834A7D
KEGG Ligand C05372
PubChem 440646
SureChEMBL SCHEMBL83891

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