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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1271470
CHEMBL1271470
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H33N5O3

Additional synonyms for CHEMBL1271470 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(C)C(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN(C)C)/c4ccccc4 ...
Download SMILES
Standard InChI InChI=1S/C30H33N5O3/c1-6-34(4)30(38)21-12-17-24-25(18-21)32- ...
Download InChI
Standard InChI Key CTCRBAORDBWNPN-DQSJHHFOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1271470

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
511.6 511.2583 4.24 8 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
11.32 7.2 1.53 1.35 3 38 0.44

Structural Alerts

There are 3 structural alerts for CHEMBL1271470. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CTCRBAORDBWNPN-DQSJHHFOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1271470



PubChem 49788360
PubChem: Thomson Pharma 103063351
SureChEMBL SCHEMBL2567075
ZINC ZINC000101372862

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