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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3632987
CHEMBL3632987
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H37N3O3

Additional synonyms for CHEMBL3632987 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCNc3c4CCCCc4nc5ccccc35
Standard InChI InChI=1S/C30H37N3O3/c1-18-19(2)28-21(20(3)27(18)34)14-15-30( ...
Download InChI
Standard InChI Key CYPPDOFLICANMU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3632987

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
487.6 487.2835 5.45 6 83.48 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 1 6 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.29 9.02 5.15 3.97 3 36 0.4

Structural Alerts

There are 2 structural alerts for CHEMBL3632987. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CYPPDOFLICANMU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3632987



BindingDB 50133421
PubChem 122194881

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