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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2041183
CHEMBL2041183
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H29F3N6O4

Additional synonyms for CHEMBL2041183 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccnc1CN2CCC3(CC2)N(C(=O)N(C3=O)c4ccc(cc4)c5ccc(cc5C)C(=O ...
Download SMILES
Standard InChI InChI=1S/C33H29F3N6O4/c1-20-4-3-13-37-26(20)18-40-14-11-32(1 ...
Download InChI
Standard InChI Key CVJHUBCBROARAB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2041183

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
630.6 630.2202 5.88 6 119.83 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 2 10 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.29 6.92 5.45 2.72 4 46 0.26

Structural Alerts

There are 1 structural alerts for CHEMBL2041183. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CVJHUBCBROARAB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2041183



BindingDB 50385797
IBM Patent System 056039BDDC31EB910C0AF317DACB4CEB
PubChem 49849122
PubChem: Thomson Pharma 104177437
SureChEMBL SCHEMBL2120998
ZINC ZINC000084705298

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