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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3121626
CHEMBL3121626
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H42N4O6

Additional synonyms for CHEMBL3121626 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1=C(C)C(=N[C@H]1Cc2[nH]c(\C=C\3/N=C(C[C@@H]4N=C(O)C(=C4C) ...
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Standard InChI InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)2 ...
Download InChI
Standard InChI Key KDCCOOGTVSRCHX-UYMYUHGCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3121626

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
590.7 590.3104 6.38 13 167.93 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 5 2 10 5 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.17 10.97 3.07 -1.11 1 43 0.18

Structural Alerts

There are 1 structural alerts for CHEMBL3121626. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KDCCOOGTVSRCHX-UYMYUHGCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3121626



FDA SRS G0OTH73Y0M
PubChem 6433298
SureChEMBL SCHEMBL473220

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