|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3
|
|
chemicalCompound:standardIn... |
UUVWYPNAQBNQJQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)c1nc(nc(n1)N(C)C)N(C)C
|
|
chemicalCompound:molecularF... |
C9H18N6
|
|
chemicalCompound:moleculeId |
386327
|
|
chemicalCompound:mwFreebase |
210.279
|
|
chemicalCompound:alogp |
0.135
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
48.39
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.532
|
|
chemicalCompound:acdLogD |
2.433
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
210.279
|
|
chemicalCompound:acdMostBpk... |
6.806
|
|
chemicalCompound:chemblId |
CHEMBL1455
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
ALTRETAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1990
|
|
chemicalCompound:activity |
activity:1899084,
activity:1899091,
activity:1899116,
activity:1899119,
activity:1899122,
activity:1899125,
activity:1899131,
activity:1899138,
activity:1899145,
activity:1899151,
activity:2588822,
activity:2588868,
activity:3266959,
activity:3491092,
activity:3651435,
activity:3808431,
activity:4006555,
activity:4015939,
activity:4437084,
activity:4745925,
activity:4773237,
activity:4857823,
activity:4881627,
activity:4921927,
activity:5325645,
activity:5325646,
activity:5325647,
activity:5325648,
activity:5325649,
activity:5325650,
activity:5325651,
activity:5325652,
activity:5325653,
activity:5325654,
activity:5325655,
activity:5325656,
activity:5325657,
activity:5325658,
activity:5325659,
activity:5325660,
activity:5325661,
activity:5325662,
activity:5514746,
activity:5570342,
activity:5708065,
activity:5747691,
activity:5856550,
activity:5990721,
activity:6011397,
activity:6012060,
activity:6019159,
activity:6022390,
activity:6769935,
activity:6791229,
activity:7058037,
activity:7452776,
activity:7518583
|
