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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1801740
CHEMBL1801740
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H31N7

Additional synonyms for CHEMBL1801740 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]3CCc4cc(ccc34)c5ccccc5c6nnn[n ...
Download SMILES
Standard InChI InChI=1S/C29H31N7/c1-5-26-31-27-18(4)15-21(14-17(2)3)30-29(2 ...
Download InChI
Standard InChI Key HHFWRZYDWOGTJX-VWLOTQADSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1801740

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
477.6 477.2641 5.88 6 85.17 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 1 7 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.05 7.12 6.4 4.34 5 36 0.33

Structural Alerts

There are no structural alerts for CHEMBL1801740

Compound Cross References

ChemSpider ChemSpider:HHFWRZYDWOGTJX-VWLOTQADSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1801740



BindingDB 50347563
PubChem 45102750
PubChem: Thomson Pharma 92121464

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