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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL571655
CHEMBL571655
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H8O

Additional synonyms for CHEMBL571655 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1c2ccccc2c3ccccc13
Standard InChI InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h ...
Download InChI
Standard InChI Key YLQWCDOCJODRMT-UHFFFAOYSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL571655. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL571655

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
180.2 180.0575 2.92 0 17.07 -


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
- - 3.49 3.49 2 14 0.61

Compound Cross References

ChemSpider ChemSpider:YLQWCDOCJODRMT-UHFFFAOYSA-N
PubChem SID: 144210117
Wikipedia Fluorenone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL571655



ACToR 486-25-9
BindinDB 50303915
ChEBI 17922
eMolecules 509887
FDA SRS AZ9T83S2AQ
IBM Patent System D985821AF80D197A95A16C3EF5EAC1A6
IBM Patents WO2008077688A1 EP2056757A2 US7416821 US7834214 US20090191404 WO2004018582A1 US7501076 EP1440131B1 US20060068308 US4871643 US20090015139 US20040014835 WO2006064896A1 US7250452 EP2178347A1 WO2006115299A1 US5968675 US20050009995 US20040234753 US20060141377 US5222987 EP2224942A2 EP1684693A1 US20030078354 EP1168891A2 US4533613 EP1380860A1 US6465648 US20090148191 US7567771 WO2002042383A1 WO2002036670A1 US6500592 US20010023047 EP1376243B1 US20040053162 EP1752191B1 US7585574 US20060287552 US6794120 EP0612752A1 WO2007003507A1 US6352809 US4599155 US20050064307 EP2233979A1 US6706895 EP0434098A3 EP1990820A1 US20090028607 WO2006046857A1 US7351395 EP0982631B1 EP1095113B1 US5932625 US7306856 US20070196749 EP0696763A1 WO2005090319A1 US20080006324 US20020013380 US7200310 EP1577300A1 WO2009047105A1 US5958997 US20030215726 WO1998009923A1 US20080054799 US20100019236 EP0385240A1 EP0618244B1 US20090029283 EP1229063B1 EP1882495A2 US20090320918 EP1835344A1 EP2036907A1 EP1692199A1 EP2159843A2 US20050164032 US6136880 US20100109517 WO2005034261A1 US20100148662 US5508333 WO2009017211A1 US6432624 US5834146 US20020192499 EP0848579B1 WO2004102615A2 EP2216172A1 WO2001081466A1 US20080124572 US20100304299 US7381720 US6620529 US6133412 EP0929542A1 US4374937
KEGG Ligand C06712
Mcule MCULE-3341096841
MolPort MolPort-000-861-019
Nikkaji J2.596H
NMRShiftDB 10015921
PubChem 10241
PubChem: Thomson Pharma 15315486
SureChEMBL SCHEMBL31884
ZINC ZINC00968253

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