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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2041170
CHEMBL2041170
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H35N7O4

Additional synonyms for CHEMBL2041170 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccnc1CN2CCC3(CC2)N(C(=O)N(C3=O)c4ccc(cc4)c5ccc(cc5)N6CCO ...
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Standard InChI InChI=1S/C34H35N7O4/c1-24-3-2-14-35-29(24)22-38-15-12-34(13- ...
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Standard InChI Key WOFLYJYTODVGLV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2041170

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
605.7 605.2751 4.4 6 115.23 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 1 1 11 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.59 4.14 2.17 4 45 0.32

Structural Alerts

There are 2 structural alerts for CHEMBL2041170. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WOFLYJYTODVGLV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2041170



BindingDB 50385783
PubChem 49849233
PubChem: Thomson Pharma 104177554
SureChEMBL SCHEMBL2120298
ZINC ZINC000084670083

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