|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:4941_Dow-isoniazid_TRADE_NAME,
synonym:4941_Hyzyd_TRADE_NAME,
synonym:4941_INH_TRADE_NAME,
synonym:4941_Isoniazid_BAN,
synonym:4941_Isoniazid_FDA_ALTERNATIVE_NAME,
synonym:4941_Isoniazid_INN,
synonym:4941_Isoniazid_JAN,
synonym:4941_Isoniazid_TRADE_NAME,
synonym:4941_Isoniazid_USAN,
synonym:4941_Isoniazid_USP,
synonym:4941_Isonicotinylhydrazine_OTHER,
synonym:4941_Laniazid_TRADE_NAME,
synonym:4941_Nydrazid_TRADE_NAME,
synonym:4941_Rimifon_TRADE_NAME,
synonym:4941_Stanozide_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
|
|
chemicalCompound:standardIn... |
QRXWMOHMRWLFEY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
NNC(=O)c1ccncc1
|
|
chemicalCompound:molecularF... |
C6H7N3O
|
|
chemicalCompound:moleculeId |
4941
|
|
chemicalCompound:mwFreebase |
137.139
|
|
chemicalCompound:alogp |
-0.811
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
68.01
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
11.4
|
|
chemicalCompound:acdLogP |
-0.766
|
|
chemicalCompound:acdLogD |
-0.767
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
137.139
|
|
chemicalCompound:acdMostBpk... |
3.786
|
|
chemicalCompound:chemblId |
CHEMBL64
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
ISONIAZID
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:57424,
activity:130842,
activity:130843,
activity:130844,
activity:136493,
activity:137919,
activity:137920,
activity:137921,
activity:137922,
activity:137923,
activity:137924,
activity:151851,
activity:151852,
activity:151853,
activity:151854,
activity:151855,
activity:151856,
activity:151857,
activity:151858,
activity:151859,
activity:151860,
activity:151861,
activity:151862,
activity:151863,
activity:151864,
activity:151865,
activity:151866,
activity:175164,
activity:175165,
activity:211848,
activity:211849,
activity:211850,
activity:211851,
activity:211852,
activity:211853,
activity:223234,
activity:223235,
activity:307397,
activity:338176,
activity:338177,
activity:338178,
activity:338179,
activity:338180,
activity:400508,
activity:400509,
activity:400510,
activity:400511,
activity:474108,
activity:531285
|
