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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL573757
CHEMBL573757
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H36N4O

Additional synonyms for CHEMBL573757 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)C(=O)c1ccc(cc1)N(C2CCN(Cc3ccccc3)CC2)c4cccc(N)c4
Standard InChI InChI=1S/C29H36N4O/c1-3-32(4-2)29(34)24-13-15-26(16-14-24)33 ...
Download InChI
Standard InChI Key KVPYTQSFSGJMNO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL573757

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
456.6 456.2889 5.55 8 52.81 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 1 5 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.05 5.19 4.57 3 34 0.45

Structural Alerts

There are 3 structural alerts for CHEMBL573757. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KVPYTQSFSGJMNO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL573757



BindingDB 50299391
PubChem 45483658
ZINC ZINC000045286129

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