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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL388803
CHEMBL388803
Compound Name INDOLINE
ChEMBL Synonyms Indoline
Max Phase 0
Trade Names
Molecular Formula C8H9N

Additional synonyms for CHEMBL388803 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1Cc2ccccc2N1
Standard InChI InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2
Standard InChI Key LPAGFVYQRIESJQ-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL388803

Alternate Forms of Compound in ChEMBL


CHEMBL388803

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
119.2 119.0735 1.71 0 12.03 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.2 1.85 1.85 1 9 0.55

Compound Cross References

ChemSpider ChemSpider:LPAGFVYQRIESJQ-UHFFFAOYSA-N
Wikipedia Indoline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL388803



ACToR 496-15-1
BindinDB 92697
ChEBI 43295
eMolecules 522799
IBM Patent System C3933B1B9B35BFB4690B87EF3ABC0C59
IBM Patents US5990305 US5925642 EP0318336B1 EP0308274A2 EP0318988A1 EP0022520A1 EP0911841A2 EP0653932B1 WO1998015553A1 US4705785 EP0918515A2 WO1999043654A2 WO1995017405A1 EP0318987A1 EP0328020A2 EP0416499B1 US5925363 US4898941 EP0318336A2 EP0525629A2 EP0414476A1 EP0636360B1 EP0749748A1 US5714493 US4144237 US4965250 EP0415885A1 WO2000043356A1 WO2000053595A1 US4340540 EP0950047A1 EP0243645B1 EP0656002A1 WO1995007698A1 EP0373110A2 WO1996011940A1 WO2000068206A1 EP0808312A1 US4003633 EP0693505B1 US4139274 US5863924 US5244860 US5457486 EP0700396A1 EP0476935B1 WO1994000100A1 EP1011665A1 EP0218548A2 US5990133 US5639760 EP0519898A1 EP0058863A1 EP0600667A1 EP0012283A1 EP0489655B1 US5503937 EP0600675B1 US4797394 EP1060163A1 WO1994024149A1 EP0526348A1 EP0656003A1 EP1007514A1 US4138570 US5214059 EP0826673A1 EP0693505A1 WO1996000224A1 EP0331609A2 US5854239 EP0615856B1 EP0969796A1 WO1999006376A1 US5889022 US4622336 EP0615978B1 EP0656002B1 EP0707581A1 US4835280 US4354970 WO2000016798A1 EP0465403A1 EP0615978A1 WO1999000389A1 EP0900800A2 EP0919232A1 EP0409949B1 WO1997005213A1 US5583234 EP0810481A3 US6150371 EP0935598A1 US4272595 US5185330 EP0163190A2 WO2000078274A2 US5731352 US5024988 WO2000055133A1
Mcule MCULE-1358931846
MolPort MolPort-001-769-771
Nikkaji J40.156K
NMRShiftDB 77289
PDBe IDM
PubChem 10328
PubChem: Thomson Pharma 14891466
SureChEMBL SCHEMBL5629
ZINC ZINC00967454

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