|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:11745_Alodorm_TRADE_NAME,
synonym:11745_Arem_TRADE_NAME,
synonym:11745_Insoma_TRADE_NAME,
synonym:11745_Mogadon_TRADE_NAME,
synonym:11745_Nitrados_TRADE_NAME,
synonym:11745_Nitrazadon_TRADE_NAME,
synonym:11745_Nitrazepam_INN,
synonym:11745_Ormodon_TRADE_NAME,
synonym:11745_Pacisyn_TRADE_NAME,
synonym:11745_Paxadorm_TRADE_NAME,
synonym:11745_Remnos_TRADE_NAME,
synonym:11745_Somnite_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
|
|
chemicalCompound:standardIn... |
KJONHKAYOJNZEC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
|
|
chemicalCompound:molecularF... |
C15H11N3O3
|
|
chemicalCompound:moleculeId |
11745
|
|
chemicalCompound:mwFreebase |
281.266
|
|
chemicalCompound:alogp |
2.195
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
87.28
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
11.349
|
|
chemicalCompound:acdLogP |
2.355
|
|
chemicalCompound:acdLogD |
2.355
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
281.266
|
|
chemicalCompound:acdMostBpk... |
2.551
|
|
chemicalCompound:chemblId |
CHEMBL13209
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
NITRAZEPAM
|
|
chemicalCompound:activity |
activity:143149,
activity:173867,
activity:173868,
activity:207036,
activity:207037,
activity:207038,
activity:207039,
activity:284017,
activity:302048,
activity:761201,
activity:882888,
activity:887091,
activity:887092,
activity:887093,
activity:887094,
activity:1062635,
activity:1062636,
activity:1062637,
activity:1283139,
activity:1283140,
activity:1283141,
activity:1283142,
activity:1283143,
activity:2059973,
activity:2385401,
activity:2672160,
activity:2672161,
activity:2978288,
activity:2978456,
activity:2990400,
activity:2990684,
activity:2993506,
activity:2993508,
activity:2994736,
activity:2994813,
activity:2996206,
activity:3667940,
activity:4789186,
activity:5079655,
activity:5080758,
activity:5081379,
activity:5083456,
activity:5083543,
activity:5317652,
activity:5318603,
activity:5319554,
activity:5329039,
activity:5522579,
activity:6261095,
activity:6609389,
activity:6941508,
activity:7735562,
activity:7735563
|
