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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL385597
CHEMBL385597
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H37N7O5

Additional synonyms for CHEMBL385597 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc(NC(=O)Cc2cc(Nc3ncnc4cc(OCCCN5CCC(CO)CC5)c(OC)cc34)[ ...
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Standard InChI InChI=1S/C30H37N7O5/c1-40-23-6-3-5-21(13-23)33-29(39)15-22-1 ...
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Standard InChI Key SJJYWHYLVWAUQL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL385597

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
575.7 575.2856 3.77 13 146.75 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 4 1 12 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.96 8.76 1.66 .28 4 42 0.17

Structural Alerts

There are 1 structural alerts for CHEMBL385597. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SJJYWHYLVWAUQL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL385597



BindingDB 26282
IBM Patent System B3D6EA0ED4E6A6F609D20680FBA0F891
PubChem 16221630
PubChem: Thomson Pharma 24904139
SureChEMBL SCHEMBL4290803
ZINC ZINC000034802962

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