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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL259419
CHEMBL259419
Compound Name 2-METHYLINDOLE
ChEMBL Synonyms 2-Methylindole
Max Phase 0
Trade Names
Molecular Formula C9H9N

Additional synonyms for CHEMBL259419 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc2ccccc2[nH]1
Standard InChI InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3
Standard InChI Key BHNHHSOHWZKFOX-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL259419

Alternate Forms of Compound in ChEMBL


CHEMBL259419

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
131.2 131.0735 2.27 0 15.79 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.64 2.64 2 10 0.56

Compound Cross References

ChemSpider ChemSpider:BHNHHSOHWZKFOX-UHFFFAOYSA-N
Wikipedia 2-Methylindole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL259419



ChEBI 49402
eMolecules 529011
FDA SRS I7CN58827I
IBM Patent System 061FF6EF73985387BFE49E1A13D47432 F0A0CDA526D89889CDE0A1017ECC7159 DA69B7DAC96DBFA55D18C8F1A9F7D72C
IBM Patents US7834346 EP0733624A1 US5741796 US20030065187 US7517910 US20010006741 US20100295029 US7528542 US20080166594 EP2166583A1 US20020168543 EP1903020A1 US5912357 US20080233410 US20080049413 EP1551206A1 EP1553154A1 WO1990005721A1 EP2073289B1 US20090267491 EP2227082A2 US7420065 US20100258791 US20080315754 US6906053 US20060160884 US5668087 US4322347 US20090015144 US4889410 US6784452 EP1926159A1 US5468874 US7659659 US4788285 US6746784 US4982112 US20100264814 US20020049332 US6747287 US20100259163 WO2007017284A2 US5714127 US20090017331 US20070138950 US20020076610 EP0014951A2 EP1505156A1 US4451472 US20070196688 US20090066225 US20070154733 US20100261761 US20070141397 EP1490062B1 WO2006034419A2 US20100320452 US20080004445 WO2003064387A2 US5574037 US4076537 US20070247062 US20070249639 EP2000464A1 US7663304 US5639860 US7202035 US20090098086 WO2003104195A1 US20050191643 US20100261721 US20080039630 US20100289013 US20050049247 US4309438 US5496928 US7803819 US4232030 US20070278938 US20090008606 US6699594 US4697018 US20070111028 US20060043858 EP1990844A1 US20040054178 US20070021472 EP1976833A2 US20090009067 US20060158403 EP0670831A1 WO2010005783A1 US4417059 US20030077480 US20100163853 EP1652892A1 EP1443076B1 US4443614 US5543086 US20100152162 EP0019115A1 EP1956007A1 US20030044681 US20040132612 US20090309488 US20100080947 EP1750487A1 US5486525 US5389616 US20090091240 WO2000071524A1 WO2004067703A2 EP1218534A2 US7018738 US4374849 US4001275 US5116978 EP2182976A1 US20090278115 US5356440 US6566302 US20090302743 EP0441226A1 US20020032175 US20100289014 US6076919 US4235920 WO2002046139A2 US20080303417 US6608224 EP1724323A1 EP1347671A1 EP0950656A1 WO2002085838A1 EP0220865A2 US5130442 US20060100425 US20040023999 US20050221125 EP1707550A1 EP0690054B1 US20030045520 US20070188084 US20100025661 EP1623968A1 US20090140637 US20020022151 US20070170843 EP1722604A1 US6090160 WO2001023601A2 US6660408 US20100197679 US20100256378 US20070249703 EP2213641A1 EP1718608A1 US7429372 EP1651011A1 US20080160344 WO2006005961A1 US7528262 WO2010127152A2 EP0277639A2 US6630253 US20090066235 EP0733680B1 WO1996016027A1 US7122277 US6117893 US4194047 EP1985643A1 US20090045730 US20090058270 US20030225150 US20090017330 US5395594 EP1429763A2 EP2003107A1 US20060052418 US20080145707 EP1847521A1 US20040086745 EP2077275A2 US20060235060 EP1606277B1 EP0431856A2 US20070275962 EP1443076A2 US20100270539 US20100219400 US7786165 USRE32761 WO2008073851A2 EP1152011A1 EP1762553A1 US6579890 US20060043859 US6136080 US20080233127
Mcule MCULE-9033876547
MolPort MolPort-000-157-236
Nikkaji J3.949G
NMRShiftDB 10018778
PDBe 2MI
PubChem 7224
PubChem: Thomson Pharma 15321372
SureChEMBL SCHEMBL12420
ZINC ZINC01088076

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