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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1555758
CHEMBL1555758
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H23N3O2

Additional synonyms for CHEMBL1555758 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](CO)NC(=O)[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Standard InChI InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16 ...
Download InChI
Standard InChI Key WVVSZNPYNCNODU-PLQHRBFRSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1555758

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
325.4 325.179 1.53 3 68.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.14 2.48 2.19 2 24 0.8

Structural Alerts

There are no structural alerts for CHEMBL1555758

Compound Cross References

ChemSpider ChemSpider:WVVSZNPYNCNODU-PLQHRBFRSA-N
PubChem SID: 11113170

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1555758



ACToR 479-00-5
FDA SRS 5EXN22NGMW
Nikkaji J33.902D
PubChem 5486180
PubChem: Thomson Pharma 15396744
SureChEMBL SCHEMBL918411

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