|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:2431_A-Poxide_OTHER,
synonym:2431_Chlordiazachel_OTHER,
synonym:2431_Chlordiazepoxide_BAN,
synonym:2431_Chlordiazepoxide_FDA_ALTERNATIVE_NAME,
synonym:2431_Chlordiazepoxide_INN,
synonym:2431_Chlordiazepoxide_JAN,
synonym:2431_Chlordiazepoxide_USAN,
synonym:2431_Chlordiazepoxide_USP,
synonym:2431_Clopoxide_OTHER,
synonym:2431_Clopoxide_TRADE_NAME,
synonym:2431_Librelease_TRADE_NAME,
synonym:2431_Libritabs_TRADE_NAME,
synonym:2431_Librium_OTHER,
synonym:2431_Librium_TRADE_NAME,
synonym:2431_Lygen_OTHER,
synonym:2431_Trakipeal_TRADE_NAME,
synonym:2431_Zeisin_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
|
|
chemicalCompound:standardIn... |
ANTSCNMPPGJYLG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CNC1=Nc2ccc(Cl)cc2C(=[N+]([O-])C1)c3ccccc3
|
|
chemicalCompound:molecularF... |
C16H14ClN3O
|
|
chemicalCompound:moleculeId |
2431
|
|
chemicalCompound:mwFreebase |
299.755
|
|
chemicalCompound:alogp |
2.297
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
53.14
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.492
|
|
chemicalCompound:acdLogD |
2.492
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
299.755
|
|
chemicalCompound:acdMostBpk... |
2.378
|
|
chemicalCompound:chemblId |
CHEMBL451
|
|
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... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
CHLORDIAZEPOXIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:57863,
activity:57864,
activity:57865,
activity:57866,
activity:57867,
activity:86663,
activity:86664,
activity:86665,
activity:86666,
activity:86667,
activity:86668,
activity:86669,
activity:105142,
activity:150675,
activity:150676,
activity:150677,
activity:160184,
activity:160185,
activity:160186,
activity:205846,
activity:205847,
activity:205848,
activity:260702,
activity:260703,
activity:260704,
activity:260705,
activity:260706,
activity:260707,
activity:260708,
activity:260709,
activity:361646,
activity:361647,
activity:380859,
activity:380860,
activity:385482,
activity:451991,
activity:451992,
activity:451993,
activity:458757,
activity:458758,
activity:459629,
activity:544727,
activity:544728,
activity:544729,
activity:544730,
activity:544731,
activity:544732,
activity:544733
|
