ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2043004
CHEMBL2043004
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H28N6O3

Additional synonyms for CHEMBL2043004 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccnc1CN2CCC3(CC2)N(C(=O)N(C3=O)c4ccc(cc4)c5ccccc5)c6cc(O ...
Download SMILES
Standard InChI InChI=1S/C30H28N6O3/c1-21-6-5-15-31-25(21)19-34-16-13-30(14- ...
Download InChI
Standard InChI Key SGDWPIDXMHBDQC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2043004

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
520.6 520.2223 4.56 5 102.76 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 1 9 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.59 5.01 4.15 4 39 0.38

Structural Alerts

There are 1 structural alerts for CHEMBL2043004. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SGDWPIDXMHBDQC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2043004



BindingDB 50385832
PubChem 57386522
PubChem: Thomson Pharma 136916477
ZINC ZINC000084729121

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