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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1256002
CHEMBL1256002
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H19N3

Additional synonyms for CHEMBL1256002 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H]1C2CCN(CC2)[C@H]1Cc3cccnc3
Standard InChI InChI=1S/C13H19N3/c14-13-11-3-6-16(7-4-11)12(13)8-10-2-1-5-1 ...
Download InChI
Standard InChI Key ZUCBDKDJRQVFNO-QWHCGFSZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1256002

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
217.3 217.1579 1.05 2 42.15 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.26 1.89 -1.19 1 16 0.8

Structural Alerts

There are no structural alerts for CHEMBL1256002

Compound Cross References

ChemSpider ChemSpider:ZUCBDKDJRQVFNO-QWHCGFSZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1256002



BindingDB 50417097
IBM Patent System 344214E24813CA96A49F4EE2E548EB2F
PubChem 25177374
PubChem: Thomson Pharma 87224240 57283556 103055804
SureChEMBL SCHEMBL373233

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