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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1618376
CHEMBL1618376
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C38H42N4O6

Additional synonyms for CHEMBL1618376 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)\C(=N/N=C/6\CC[C ...
Download SMILES
Standard InChI InChI=1S/C38H42N4O6/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(2 ...
Download InChI
Standard InChI Key AJPSBXJNFJCCBI-ACDAVLQGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1618376

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
650.8 650.3104 3.28 5 130.58 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 4 1 10 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.86 7.61 .25 -.14 2 48 0.29

Structural Alerts

There are 6 structural alerts for CHEMBL1618376. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AJPSBXJNFJCCBI-ACDAVLQGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1618376



PubChem 52949983
SureChEMBL SCHEMBL20574365
ZINC ZINC000072111930

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