|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:147_Nalidixane_OTHER,
synonym:147_Nalidixic Acid_BAN,
synonym:147_Nalidixic Acid_INN,
synonym:147_Nalidixic Acid_JAN,
synonym:147_Nalidixic Acid_USAN,
synonym:147_Nalidixic Acid_USP,
synonym:147_Nalidixic acid_FDA_ALTERNATIVE_NAME,
synonym:147_Nalidixic acid_TRADE_NAME,
synonym:147_Neg Gram_TRADE_NAME,
synonym:147_Neggram_TRADE_NAME,
synonym:147_Uroneg_TRADE_NAME,
synonym:147_WIN-18320_RESEARCH_CODE,
synonym:147_Wintomylon_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
|
|
chemicalCompound:standardIn... |
MHWLWQUZZRMNGJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12
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|
chemicalCompound:molecularF... |
C12H12N2O3
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|
chemicalCompound:moleculeId |
147
|
|
chemicalCompound:mwFreebase |
232.235
|
|
chemicalCompound:alogp |
0.556
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
70.5
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
3.454
|
|
chemicalCompound:acdLogP |
0.025
|
|
chemicalCompound:acdLogD |
-1.536
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
232.235
|
|
chemicalCompound:acdMostBpk... |
6.117
|
|
chemicalCompound:chemblId |
CHEMBL5
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
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|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
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chemicalCompound:oral |
Yes
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|
chemicalCompound:parenteral |
No
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|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
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|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
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chemicalCompound:prefName |
NALIDIXIC ACID
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chemicalCompound:chebiParen... |
|
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chemicalCompound:activity |
activity:104221,
activity:336591,
activity:336592,
activity:336593,
activity:336594,
activity:336595,
activity:336596,
activity:336597,
activity:336598,
activity:336599,
activity:336600,
activity:336601,
activity:336602,
activity:336603,
activity:336604,
activity:336605,
activity:336606,
activity:336607,
activity:336608,
activity:383318,
activity:383319,
activity:383320,
activity:383321,
activity:383322,
activity:383323,
activity:383324,
activity:522423,
activity:522424,
activity:522425,
activity:522426,
activity:776476,
activity:776477,
activity:776478,
activity:776479,
activity:776480,
activity:776481,
activity:894690,
activity:894691,
activity:894692,
activity:907491,
activity:907492,
activity:997067,
activity:997068,
activity:997069,
activity:1129668,
activity:1129669,
activity:1165309,
activity:1165310,
activity:1165311,
activity:1165312,
activity:1165313
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