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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1240703
CHEMBL1240703
Compound Name CGP-52421
ChEMBL Synonyms CGP-52421
Max Phase 0
Trade Names
Molecular Formula C35H30N4O5

Additional synonyms for CHEMBL1240703 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n3c4ccccc4c5c6[C@H](O)NC(=O) ...
Download SMILES
Standard InChI InChI=1S/C35H30N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6- ...
Download InChI
Standard InChI Key ZZSBPGIGIUFJRA-AKIDMACVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1240703

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
586.7 586.2216 5.4 3 97.96 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 2 9 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.23 - 5.61 5.61 6 44 0.29

Structural Alerts

There are 1 structural alerts for CHEMBL1240703. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZZSBPGIGIUFJRA-AKIDMACVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1240703



BindingDB 50326054
PubChem 52945601
SureChEMBL SCHEMBL15275183
ZINC ZINC000101364035

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