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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL384145
CHEMBL384145
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H40N4O2S

Additional synonyms for CHEMBL384145 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN([C@H]1CCN(C1)C(=O)N2CC[C@H](C2)NC3CCC(C)(C)CC3)C(=O)c4ccc ...
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Standard InChI InChI=1S/C29H40N4O2S/c1-29(2)15-11-22(12-16-29)30-23-13-17-3 ...
Download InChI
Standard InChI Key YUTOYRGOUOLGGU-RPWUZVMVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL384145

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
508.7 508.2872 5.31 5 55.89 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 2 6 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.9 5.98 3.73 2 36 0.6

Structural Alerts

There are no structural alerts for CHEMBL384145

Compound Cross References

ChemSpider ChemSpider:YUTOYRGOUOLGGU-RPWUZVMVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL384145



BindingDB 50190942
PubChem 44416753
ZINC ZINC000036151853

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