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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL88612
CHEMBL88612
Compound Name
ChEMBL Synonyms SIB-1893
Max Phase 0
Trade Names
Molecular Formula C14H13N

Additional synonyms for CHEMBL88612 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(\C=C\c2ccccc2)n1
Standard InChI InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/ ...
Download InChI
Standard InChI Key SISOFUCTXZKSOQ-ZHACJKMWSA-N

Structural Alerts

There are 2 structural alerts for CHEMBL88612. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL88612

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
195.3 195.1048 3.38 2 12.89 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.42 3.21 3.2 2 15 0.72

Compound Cross References

ChemSpider ChemSpider:SISOFUCTXZKSOQ-ZHACJKMWSA-N
PubChem SID: 26752109 SID: 50104764 SID: 50104765 SID: 90341151
Wikipedia SIB-1893

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL88612



BindingDB 50084141
eMolecules 26751567
Guide to Pharmacology 1432
MolPort MolPort-003-959-634
Nikkaji J3.300.837F J1.266.022G
PubChem 5311432
PubChem: Thomson Pharma 14748605
SureChEMBL SCHEMBL179801
ZINC ZINC03941522

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