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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2365712
CHEMBL2365712
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H41N5O5

Additional synonyms for CHEMBL2365712 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3C[C@H]4[C@@H](Cc5c[nH]c ...
Download SMILES
Standard InChI InChI=1S/C31H41N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40) ...
Download InChI
Standard InChI Key SEALOBQTUQIVGU-QNIJNHAOSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2365712

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
563.7 563.3108 2.13 4 118.21 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 1 10 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.6 7.22 5.86 5.64 2 41 0.52

Structural Alerts

There are no structural alerts for CHEMBL2365712

Compound Cross References

ChemSpider ChemSpider:SEALOBQTUQIVGU-QNIJNHAOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2365712



ACToR 25447-65-8
ChEBI 59909
DrugBank DB11273
DrugCentral 3184
EPA CompTox Dashboard DTXSID1044013
FDA SRS IK4C1OC8NE
IBM Patent System BED0BF6BA54A092628532DE2A66F1258
Metabolights MTBLC59909
Nikkaji J1.009J
PubChem 168871
PubChem: Thomson Pharma 16865378
SureChEMBL SCHEMBL150648
ZINC ZINC000004215648

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