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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[ ...
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Standard InChI InChI=1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(4 ...
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Standard InChI Key RFCWHQNNCOJYTR-IRCAEPKSSA-N

Structural Alerts

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

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

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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