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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1272291
CHEMBL1272291
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H35N5O3

Additional synonyms for CHEMBL1272291 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(C)C(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(CCN(C)C)C(=O)C)/c4ccccc ...
Download SMILES
Standard InChI InChI=1S/C31H35N5O3/c1-6-35(5)31(39)23-12-17-26-27(20-23)33- ...
Download InChI
Standard InChI Key PXKXNBMBKGONPB-ZIADKAODSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1272291

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
525.7 525.274 4.63 9 84.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 1 8 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.33 8.27 2.15 1.24 3 39 0.4

Structural Alerts

There are 4 structural alerts for CHEMBL1272291. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PXKXNBMBKGONPB-ZIADKAODSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1272291



PubChem 49788356
PubChem: Thomson Pharma 103063347
SureChEMBL SCHEMBL2570168
ZINC ZINC000101372829

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