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Sources
1018600
Source:
http://linkedlifedata.com/resource/chembl/compound/1018600
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Subject
(
36
)
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Inference
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C30H31ClN4O4/c1-2-21-14-16-23(17-15-21)33-28(37)20-35-26-12-6-4-10-24(26)29(38)34(30(35)39)18-8-7-13-27(36)32-19-22-9-3-5-11-25(22)31/h3-6,9-12,14-17H,2,7-8,13,18-20H2,1H3,(H,32,36)(H,33,37)
chemicalCompound:standardIn...
KWGYDHXODIKWTL-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCc1ccc(NC(=O)CN2C(=O)N(CCCCC(=O)NCc3ccccc3Cl)C(=O)c4ccccc24)cc1
chemicalCompound:molecularF...
C30H31ClN4O4
chemicalCompound:moleculeId
1018600
chemicalCompound:mwFreebase
547.045
chemicalCompound:alogp
4.888
chemicalCompound:hba
4
chemicalCompound:hbd
2
chemicalCompound:psa
98.82
chemicalCompound:rtb
11
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
13.933
chemicalCompound:acdLogP
5.74
chemicalCompound:acdLogD
5.74
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
547.045
chemicalCompound:acdMostBpk...
1.033
chemicalCompound:chemblId
CHEMBL1594716
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1118600
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:3942918
,
activity:7337811