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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

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

Structural Alerts

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

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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