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135346
Source:
http://linkedlifedata.com/resource/chembl/compound/135346
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Subject
(
34
)
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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/C25H28ClN3OS/c26-20-3-4-21-22(15-20)31-16-19-2-1-9-28-25(19)24(21)18-7-12-29(13-8-18)23(30)14-17-5-10-27-11-6-17/h1-4,9,15,17,27H,5-8,10-14,16H2
chemicalCompound:standardIn...
REACFXVGXXIOJH-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Clc1ccc2C(=C3CCN(CC3)C(=O)CC4CCNCC4)c5ncccc5CSc2c1
chemicalCompound:molecularF...
C25 H28 Cl N3 O S
chemicalCompound:moleculeId
135346
chemicalCompound:mwFreebase
454.027
chemicalCompound:alogp
4.039
chemicalCompound:hba
4
chemicalCompound:hbd
1
chemicalCompound:psa
70.53
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
3.773
chemicalCompound:acdLogD
1
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
454.027
chemicalCompound:acdMostBpk...
10.506
chemicalCompound:chemblId
CHEMBL85670
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:235346
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:844633