|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
|
|
chemicalCompound:standardIn... |
PQLXHQMOHUQAKB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
|
|
chemicalCompound:molecularF... |
C21H46NO4P
|
|
chemicalCompound:moleculeId |
25047
|
|
chemicalCompound:mwFreebase |
407.568
|
|
chemicalCompound:alogp |
3.722
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
68.4
|
|
chemicalCompound:rtb |
20
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
1.276
|
|
chemicalCompound:acdLogP |
3.407
|
|
chemicalCompound:acdLogD |
4.007
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
407.568
|
|
chemicalCompound:chemblId |
CHEMBL125
|
|
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 |
MILTEFOSINE
|
|
chemicalCompound:activity |
activity:140769,
activity:140770,
activity:140771,
activity:140772,
activity:143479,
activity:143480,
activity:592685,
activity:926957,
activity:926958,
activity:926959,
activity:975894,
activity:975895,
activity:975896,
activity:975897,
activity:975898,
activity:975899,
activity:975900,
activity:975901,
activity:975902,
activity:1097839,
activity:1097840,
activity:1097841,
activity:1097842,
activity:1097843,
activity:1097844,
activity:1097845,
activity:1097846,
activity:1097847,
activity:1097848,
activity:1604946,
activity:1604947,
activity:1679050,
activity:1679165,
activity:1679167,
activity:1771011,
activity:1771012,
activity:1771013,
activity:1771014,
activity:1797937,
activity:1845930,
activity:1845934,
activity:1865722,
activity:1865723,
activity:1865724,
activity:1865725,
activity:1865726,
activity:1865727,
activity:1865734,
activity:1865735,
activity:1865754,
activity:1865755,
activity:1866961,
activity:1866963,
activity:1866984,
activity:1866985,
activity:1867215,
activity:1867291,
activity:1867300,
activity:1867301,
activity:1867314,
activity:1867315,
activity:1867316,
activity:1867317
|
