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707879
Source:
http://linkedlifedata.com/resource/chembl/compound/707879
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Subject
(
40
)
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:synonym
synonym:707879_ASPORYZIN B_TRADE_NAME
chemicalCompound:standardIn...
InChI=1S/C27H35NO3/c1-16(2)13-18-15-26(4)21-10-9-17-14-27(30)19-7-5-6-8-20(19)28(27)24(29)23(17)25(21,3)12-11-22(26)31-18/h5-8,13,17-18,21-23,30H,9-12,14-15H2,1-4H3/t17-,18-,21+,22-,23+,25-,26-,27?/m0/s1
chemicalCompound:standardIn...
QJYILEDZEZVBBD-IPYQKNEASA-N
chemicalCompound:canonicalS...
CC(=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]4CC5(O)N(C(=O)[C@H]34)c6ccccc56)O1)C
chemicalCompound:molecularF...
C27H35NO3
chemicalCompound:moleculeId
707879
chemicalCompound:mwFreebase
421.572
chemicalCompound:alogp
4.354
chemicalCompound:hba
3
chemicalCompound:hbd
1
chemicalCompound:psa
49.77
chemicalCompound:rtb
1
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
12.123
chemicalCompound:acdLogP
5.353
chemicalCompound:acdLogD
5.353
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
421.572
chemicalCompound:chemblId
CHEMBL1258865
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:807879
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
ASPORYZIN B
chemicalCompound:activity
activity:3499278
,
activity:3499284
,
activity:3499296
,
activity:3499303
,
activity:3499309