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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL607014
CHEMBL607014
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H37N3O

Additional synonyms for CHEMBL607014 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]2C[C@@H](C)N(CC=C)C[C@@H]2C)c3 ...
Download SMILES
Standard InChI InChI=1S/C27H37N3O/c1-6-18-29-20-21(4)26(19-22(29)5)30(24-12 ...
Download InChI
Standard InChI Key TXZPROJVVZKUCS-VVZHRXSXSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL607014

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
419.6 419.2937 5.59 8 26.79 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.9 6.13 4.79 2 31 0.52

Structural Alerts

There are 3 structural alerts for CHEMBL607014. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TXZPROJVVZKUCS-VVZHRXSXSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL607014



Nikkaji J1.525.013E
PubChem 10812041
PubChem: Thomson Pharma 15852131
ZINC ZINC000013862287

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