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462262
Source:
http://linkedlifedata.com/resource/chembl/compound/462262
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Subject
(
39
)
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:synonym
synonym:462262_AGLAROXIN A_TRADE_NAME
chemicalCompound:standardIn...
InChI=1S/C29H29NO8/c1-30(2)27(32)21-22(16-8-6-5-7-9-16)29(17-10-12-18(34-3)13-11-17)28(33,26(21)31)23-19(38-29)14-20-24(25(23)35-4)37-15-36-20/h5-14,21-22,26,31,33H,15H2,1-4H3/t21-,22-,26-,28+,29+/m1/s1
chemicalCompound:standardIn...
VBEWJSMISIWDQM-NPWWZGLVSA-N
chemicalCompound:canonicalS...
COc1ccc(cc1)[C@@]23Oc4cc5OCOc5c(OC)c4[C@]2(O)[C@H](O)[C@@H]([C@H]3c6ccccc6)C(=O)N(C)C
chemicalCompound:molecularF...
C29H29NO8
chemicalCompound:moleculeId
462262
chemicalCompound:mwFreebase
519.542
chemicalCompound:alogp
2.522
chemicalCompound:hba
8
chemicalCompound:hbd
2
chemicalCompound:psa
106.92
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
11.402
chemicalCompound:acdLogP
1
chemicalCompound:acdLogD
1
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
519.542
chemicalCompound:chemblId
CHEMBL492606
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:562262
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:prefName
AGLAROXIN A
chemicalCompound:activity
activity:2543354
,
activity:2543355
,
activity:2543356
,
activity:2543357