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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL313030
CHEMBL313030
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H41N5O4

Additional synonyms for CHEMBL313030 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)c1ccc(cc1)C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc5 ...
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Standard InChI InChI=1S/C35H41N5O4/c1-24(2)25-11-13-27(14-12-25)35(19-7-4-8 ...
Download InChI
Standard InChI Key AFDFFXDMBHJMEI-UMSFTDKQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL313030

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
595.7 595.3159 7.34 10 129.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 2 9 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.6 - 8.63 8.62 4 44 0.11

Structural Alerts

There are 7 structural alerts for CHEMBL313030. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AFDFFXDMBHJMEI-UMSFTDKQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL313030



BindingDB 50071749
PubChem 44321117
ZINC ZINC000026576452

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