|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)
|
|
chemicalCompound:standardIn... |
KYRVNWMVYQXFEU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c3cccs3
|
|
chemicalCompound:molecularF... |
C14H11N3O3S
|
|
chemicalCompound:moleculeId |
5575
|
|
chemicalCompound:mwFreebase |
301.32
|
|
chemicalCompound:alogp |
3.008
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
112.31
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
10.327
|
|
chemicalCompound:acdLogP |
2.626
|
|
chemicalCompound:acdLogD |
2.622
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
301.32
|
|
chemicalCompound:acdMostBpk... |
4.469
|
|
chemicalCompound:chemblId |
CHEMBL9514
|
|
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 |
NOCODAZOLE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:318269,
activity:318270,
activity:318271,
activity:318272,
activity:318273,
activity:318274,
activity:318275,
activity:318276,
activity:318277,
activity:318278,
activity:318279,
activity:318280,
activity:318281,
activity:318282,
activity:318283,
activity:845361,
activity:845362,
activity:845363,
activity:845364,
activity:856934,
activity:856935,
activity:1012542,
activity:1012543,
activity:1293147,
activity:1293148,
activity:1293149,
activity:1293150,
activity:1707100,
activity:1707107,
activity:1707108,
activity:1707109,
activity:1798067,
activity:1798098,
activity:1798131,
activity:1798153,
activity:1798158,
activity:1798163,
activity:1798168,
activity:1798173,
activity:1798178,
activity:1798182,
activity:1798186,
activity:1798190,
activity:1798194,
activity:1798198,
activity:1798216,
activity:1805155,
activity:1805159,
activity:1805165,
activity:1805170,
activity:1805174,
activity:1805179,
activity:1805188,
activity:1805193,
activity:1805197,
activity:1805201,
activity:1805205,
activity:1805209,
activity:1805216,
activity:1805220,
activity:1805225,
activity:1805230,
activity:1805235
|
