|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3
|
|
chemicalCompound:standardIn... |
VEGXETMJINRLTH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)CCC3N)C2O)OCC1(C)O
|
|
chemicalCompound:molecularF... |
C19H39N5O7
|
|
chemicalCompound:moleculeId |
79565
|
|
chemicalCompound:mwFreebase |
449.542
|
|
chemicalCompound:alogp |
-4.622
|
|
chemicalCompound:hba |
12
|
|
chemicalCompound:hbd |
8
|
|
chemicalCompound:psa |
213.71
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
2
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.288
|
|
chemicalCompound:acdLogP |
-2.927
|
|
chemicalCompound:acdLogD |
-8.627
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
449.542
|
|
chemicalCompound:acdMostBpk... |
9.523
|
|
chemicalCompound:chemblId |
CHEMBL301721
|
|
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 |
GENTAMICIN C1A
|
|
chemicalCompound:activity |
activity:148178,
activity:197368,
activity:197369,
activity:197370,
activity:197371,
activity:925274,
activity:925275,
activity:1030067,
activity:1521487,
activity:1521488,
activity:2252766,
activity:2252775,
activity:2252777,
activity:2252779,
activity:2252781,
activity:2252783,
activity:2252785,
activity:2252787,
activity:2252789,
activity:2252791,
activity:2496173,
activity:2496183,
activity:2496193,
activity:2496203,
activity:2497070,
activity:2497080,
activity:2497090,
activity:2497100,
activity:2497200,
activity:2497210,
activity:2497220,
activity:2497230,
activity:3464164,
activity:3464168,
activity:3464196,
activity:3464199,
activity:5315916,
activity:5328927
|
