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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2002365
CHEMBL2002365
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H46N2O2

Additional synonyms for CHEMBL2002365 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1CN[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6 ...
Download SMILES
Standard InChI InChI=1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31 ...
Download InChI
Standard InChI Key ZPTJKUUQUDRHTL-QAQRTNARSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2002365

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
430.7 430.3559 4.3 0 67.51 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.89 10.92 6.71 2.76 0 31 0.54

Structural Alerts

There are no structural alerts for CHEMBL2002365

Compound Cross References

ChemSpider ChemSpider:ZPTJKUUQUDRHTL-QAQRTNARSA-N
PubChem SID: 405016

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2002365



ACToR 639-86-1
ChEBI 9189
FDA SRS WWQ51S32N8
KEGG Ligand C10821
Metabolights MTBLC9189
PubChem 73419
ZINC ZINC000008234362

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