|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:721_Apozepam_TRADE_NAME,
synonym:721_Diastat acudial_TRADE_NAME,
synonym:721_Diastat_TRADE_NAME,
synonym:721_Diazepam intensol_TRADE_NAME,
synonym:721_Diazepam_BAN,
synonym:721_Diazepam_FDA_ALTERNATIVE_NAME,
synonym:721_Diazepam_INN,
synonym:721_Diazepam_JAN,
synonym:721_Diazepam_TRADE_NAME,
synonym:721_Diazepam_USAN,
synonym:721_Diazepam_USP,
synonym:721_Dizac_TRADE_NAME,
synonym:721_E-Pam_TRADE_NAME,
synonym:721_Paxel_TRADE_NAME,
synonym:721_Q-pam_TRADE_NAME,
synonym:721_Relanium_TRADE_NAME,
synonym:721_Scriptopam_TRADE_NAME,
synonym:721_Serenack_TRADE_NAME,
synonym:721_Stesolid_TRADE_NAME,
synonym:721_Tranimul_TRADE_NAME,
synonym:721_Valium_TRADE_NAME,
synonym:721_Valrelease_TRADE_NAME,
synonym:721_Vivol_TRADE_NAME,
synonym:721_WY-3467_RESEARCH_CODE
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
|
|
chemicalCompound:standardIn... |
AAOVKJBEBIDNHE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13
|
|
chemicalCompound:molecularF... |
C16H13ClN2O
|
|
chemicalCompound:moleculeId |
721
|
|
chemicalCompound:mwFreebase |
284.74
|
|
chemicalCompound:alogp |
3.171
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
32.67
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.801
|
|
chemicalCompound:acdLogD |
2.801
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
284.74
|
|
chemicalCompound:acdMostBpk... |
3.398
|
|
chemicalCompound:chemblId |
CHEMBL12
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
DIAZEPAM
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:53710,
activity:53711,
activity:58201,
activity:90762,
activity:92570,
activity:92571,
activity:92572,
activity:92573,
activity:98521,
activity:98522,
activity:98523,
activity:98524,
activity:116266,
activity:116267,
activity:116268,
activity:116269,
activity:116270,
activity:116271,
activity:116272,
activity:118637,
activity:118638,
activity:118639,
activity:118640,
activity:118641,
activity:119027,
activity:139849,
activity:139850,
activity:141812,
activity:146604,
activity:167958,
activity:167959,
activity:167960,
activity:177135,
activity:177136,
activity:177137,
activity:177138,
activity:177139,
activity:177140,
activity:177698,
activity:177699,
activity:177700
|
