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Sources
1615
Source:
http://linkedlifedata.com/resource/chembl/compound/1615
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Subject
(
100
of
many
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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:synonym
synonym:1615_Benzylpenicillin_BAN
,
synonym:1615_Benzylpenicillin_INN
,
synonym:1615_Benzylpenicillin_USAN
,
synonym:1615_Bicillin_OTHER
,
synonym:1615_Penicillin G_FDA_ALTERNATIVE_NAME
,
synonym:1615_Penicillin-2_OTHER
,
synonym:1615_Permapen_OTHER
,
synonym:1615_Pfizerpen-AS_OTHER
,
synonym:1615_Pfizerpen_OTHER
chemicalCompound:standardIn...
InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
chemicalCompound:standardIn...
JGSARLDLIJGVTE-MBNYWOFBSA-N
chemicalCompound:canonicalS...
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O
chemicalCompound:molecularF...
C16H18N2O4S
chemicalCompound:moleculeId
1615
chemicalCompound:mwFreebase
334.39
chemicalCompound:alogp
1.124
chemicalCompound:hba
5
chemicalCompound:hbd
2
chemicalCompound:psa
112.01
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
2.446
chemicalCompound:acdLogP
1.918
chemicalCompound:acdLogD
-1.806
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
334.39
chemicalCompound:chemblId
CHEMBL29
chemicalCompound:maxPhase
4
chemicalCompound:therapeuti...
1
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:101615
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
Yes
chemicalCompound:parenteral
Yes
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
Yes
chemicalCompound:proDrug
No
chemicalCompound:prefName
BENZYLPENICILLIN
chemicalCompound:chebiParen...
https://linkedlifedata.com/resource/chebi/id/CHEBI:18208
chemicalCompound:activity
activity:51312
,
activity:51313
,
activity:51314
,
activity:51315
,
activity:504487
,
activity:504488
,
activity:504489
,
activity:504490
,
activity:504491
,
activity:675425
,
activity:675426
,
activity:675427
,
activity:675428
,
activity:675429
,
activity:675430
,
activity:675431
,
activity:675432
,
activity:675433
,
activity:675434
,
activity:675435
,
activity:675436
,
activity:675437
,
activity:675438
,
activity:675439
,
activity:675440
,
activity:675441
,
activity:675442
,
activity:675443
,
activity:675444
,
activity:675445
,
activity:675446
,
activity:675447
,
activity:675448
,
activity:675449
,
activity:675450
,
activity:675451
,
activity:675452
,
activity:675453
,
activity:675454
,
activity:675455
,
activity:675456
,
activity:675457
,
activity:675458
,
activity:675459
,
activity:739646
,
activity:739647
,
activity:739648
,
activity:739649
,
activity:739650
,
activity:739651
,
activity:739652
,
activity:739653
,
activity:739654
,
activity:739655
,
activity:739656
,
activity:739657
More...