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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2402024
CHEMBL2402024
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H28N6O3

Additional synonyms for CHEMBL2402024 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n3cnc4c(NCCc5cc ...
Download SMILES
Standard InChI InChI=1S/C29H28N6O3/c1-30-28(38)29-16-20(29)23(24(36)25(29)3 ...
Download InChI
Standard InChI Key XHVZGOCXMKSHJQ-YUBGWGQWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2402024

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
508.6 508.2223 1.91 6 125.19 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 1 9 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.34 2.29 4.48 4.48 4 38 0.29

Structural Alerts

There are 1 structural alerts for CHEMBL2402024. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XHVZGOCXMKSHJQ-YUBGWGQWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2402024



BindingDB 50437189
PubChem 71764237
ZINC ZINC000096273095

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