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768261
Source:
http://linkedlifedata.com/resource/chembl/compound/768261
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Subject
(
46
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C20H18N6O2S/c1-2-28-16-7-5-15(6-8-16)22-18(27)13-29-19-10-9-17-23-24-20(26(17)25-19)14-4-3-11-21-12-14/h3-12H,2,13H2,1H3,(H,22,27)
chemicalCompound:standardIn...
FTZHMJZKHMDGMQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCOc1ccc(NC(=O)CSc2ccc3nnc(c4cccnc4)n3n2)cc1
chemicalCompound:molecularF...
C20H18N6O2S
chemicalCompound:moleculeId
768261
chemicalCompound:mwFreebase
406.461
chemicalCompound:alogp
2.677
chemicalCompound:hba
7
chemicalCompound:hbd
1
chemicalCompound:psa
119.6
chemicalCompound:rtb
7
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
12.196
chemicalCompound:acdLogP
3.275
chemicalCompound:acdLogD
3.275
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
406.461
chemicalCompound:acdMostBpk...
2.249
chemicalCompound:chemblId
CHEMBL1344377
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:868261
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity
activity:4228351
,
activity:4628822
,
activity:5036207
,
activity:5413910
,
activity:5570633
,
activity:5857342
,
activity:6744262
,
activity:6914666
,
activity:7082777
,
activity:8313968
,
activity:8334637
,
activity:10049349