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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL593907
CHEMBL593907
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H20ClN3

Additional synonyms for CHEMBL593907 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C
Standard InChI InChI=1S/C17H19N3.ClH/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)1 ...
Download InChI
Standard InChI Key VSTHNGLPHBTRMB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL593907

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
265.4 265.1579 3.68 2 19.37 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.97 3.37 1.09 3 20 0.66

Structural Alerts

There are 4 structural alerts for CHEMBL593907. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VSTHNGLPHBTRMB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL593907



ACToR 65-61-2
Brenda 4219
ChEBI 51739
eMolecules 474871
FDA SRS YO2175B15I
MolPort MolPort-003-925-169
PubChem 129680429 517204 25164109
PubChem: Thomson Pharma 16827486
SureChEMBL SCHEMBL22071

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