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1248977
Source:
http://linkedlifedata.com/resource/chembl/compound/1248977
Search
Subject
(
100
of
many
)
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
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C17H35N5O6/c1-7(19)9-5-4-8(20)17(27-9)28-15-11(21)13(24)16(26-3)12(14(15)25)22(2)10(23)6-18/h7-9,11-17,24-25H,4-6,18-21H2,1-3H3/t7?,8-,9+,11+,12+,13+,14-,15-,16-,17-/m1/s1
chemicalCompound:standardIn...
BIDUPMYXGFNAEJ-FFRPCIIESA-N
chemicalCompound:canonicalS...
CO[C@H]1[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@@H](CC[C@H]2N)C(C)N)[C@H](O)[C@@H]1N(C)C(=O)CN
chemicalCompound:molecularF...
C17H35N5O6
chemicalCompound:moleculeId
1248977
chemicalCompound:mwFreebase
405.49
chemicalCompound:alogp
-4.254
chemicalCompound:hba
10
chemicalCompound:hbd
6
chemicalCompound:psa
192.54
chemicalCompound:rtb
6
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
13.16
chemicalCompound:acdLogP
-2.208
chemicalCompound:acdLogD
-7.396
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
405.49
chemicalCompound:acdMostBpk...
9.989
chemicalCompound:chemblId
CHEMBL1909053
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1348977
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:7600265
,
activity:7600266
,
activity:7600267
,
activity:7600268
,
activity:7600269
,
activity:7600270
,
activity:7600271
,
activity:7600272
,
activity:7600273
,
activity:7600274
,
activity:7600275
,
activity:7600276
,
activity:7600277
,
activity:7600278
,
activity:7600279
,
activity:7600280
,
activity:7600281
,
activity:7600282
,
activity:7600283
,
activity:7600284
,
activity:7600285
,
activity:7600286
,
activity:7600287
,
activity:7600288
,
activity:7600289
,
activity:7600290
,
activity:7600291
,
activity:7600292
,
activity:7600293
,
activity:7600294
,
activity:7600295
,
activity:7600296
,
activity:7600297
,
activity:7600298
,
activity:7600299
,
activity:7600300
,
activity:7600301
,
activity:7600302
,
activity:7600303
,
activity:7600304
,
activity:7600305
,
activity:7600306
,
activity:7600307
,
activity:7600308
,
activity:7600309
,
activity:7600310
,
activity:7600311
,
activity:7600312
,
activity:7600313
,
activity:7600314
,
activity:7600315
,
activity:7600316
,
activity:7600317
,
activity:7600318
,
activity:7600319
,
activity:7600320
,
activity:7600321
,
activity:7600322
,
activity:7600323
,
activity:7600324
,
activity:7600325
,
activity:7600326
,
activity:7600327
,
activity:7600328
,
activity:7600329
,
activity:7600330
More...