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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL9734
Compound Name
ChEMBL Synonyms 4-Methyl-Quinoline
Max Phase 0
Trade Names
Molecular Formula C10H9N

Additional synonyms for CHEMBL9734 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccnc2ccccc12
Standard InChI InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3

Structural Alerts

There are no structural alerts for CHEMBL9734

Alternate Forms of Compound in ChEMBL


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
143.2 143.0735 2.5 0 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
- 5.66 2.73 2.72 2 11 0.55

Compound Cross References

PubChem SID: 124895700 SID: 144212146
Wikipedia Lepidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL9734

ACToR 491-35-0
ChEBI 48983
eMolecules 484043
FDA SRS 116169T3O8
IBM Patent System CF14E086F87F6875F9712F130A6FF169
IBM Patents US4599448 EP1264827A1 WO2010080829A1 US4925481 EP0393423A1 WO2006053022A2 WO2005087004A2 EP2099292A1 US20050065166 US7501076 US4047929 WO2003072252A1 WO2002012236A1 WO1999052878A1 US20100208014 EP1765794A1 EP1204638B1 EP0526402B1 EP1100789A1 WO2004067518A1 US20020192670 US4668280 US4125377 EP0532948A1 US6566536 US5401847 US20060014642 WO2001068616A1 EP0124992B1 US5021082 EP0183528A2 US5840653 EP0330959A2 US5646167 EP1429613A1 US20030212054 US5683965 US6391877 US7091169 US4740231 US6387547 EP1513810A1 US20090176270 US20060269926 EP1276741A1 WO2010068760A2 US7557066 EP1357795B1 US6218537 WO2006056282A1 EP1668162A1 EP1480750A1 EP1988177A1 EP0580042A2 US5183932 US20080091050 US20050085388 WO2005093034A1 US5639713 US4339592 WO2004043201A2 EP0257296A1 EP0709368A1 US6008231 EP0264672A2 EP1129071A1 US5300676 US4588846 WO2002029028A2 WO2002006251A1 EP1725100A2 EP0384230A1 US4891317 US5380863 US6919344 EP0431291A3 US6677277 EP2260027A1 US5962372 EP0477646B1 EP0236829A2 US20040209939 US5965539 EP0397474B1 US6043226 EP1928593B1 US5935907 EP1340808B1 US4657577 WO2003040103A1 US7432225 EP1264825A1 EP1263738A1 EP1080077A1 EP2017264A1 US4537757 US4973726 EP0661276A1 US4758673 US5166356
Mcule MCULE-8999201921
MolPort MolPort-001-781-554
Nikkaji J1.552K
NMRShiftDB 20050529
PubChem 10285
PubChem: Thomson Pharma 15264946
ZINC ZINC01666750

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