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672270
Source:
http://linkedlifedata.com/resource/chembl/compound/672270
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Subject
(
33
)
Predicate
Object
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
chemicalCompound:standardIn...
InChI=1S/C16H15Cl2N3O/c1-20-13-4-2-3-5-14(13)21(16(20)19)9-15(22)10-6-7-11(17)12(18)8-10/h2-8,15,19,22H,9H2,1H3
chemicalCompound:standardIn...
OLKGUHSHJDRHHX-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CN1C(=N)N(CC(O)c2ccc(Cl)c(Cl)c2)c3ccccc13
chemicalCompound:molecularF...
C16H15Cl2N3O
chemicalCompound:moleculeId
672270
chemicalCompound:mwFreebase
336.216
chemicalCompound:alogp
3.56
chemicalCompound:hba
2
chemicalCompound:hbd
2
chemicalCompound:psa
50.56
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
12.854
chemicalCompound:acdLogP
3.489
chemicalCompound:acdLogD
2.32
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
336.216
chemicalCompound:acdMostBpk...
10.624
chemicalCompound:chemblId
CHEMBL1198320
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:772270
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No