|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
|
|
chemicalCompound:standardIn... |
SHXWCVYOXRDMCX-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CNC(C)Cc1ccc2OCOc2c1
|
|
chemicalCompound:molecularF... |
C11H15NO2
|
|
chemicalCompound:moleculeId |
66613
|
|
chemicalCompound:mwFreebase |
193.242
|
|
chemicalCompound:alogp |
1.834
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
30.49
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.05
|
|
chemicalCompound:acdLogD |
-0.652
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
193.242
|
|
chemicalCompound:acdMostBpk... |
10.323
|
|
chemicalCompound:chemblId |
CHEMBL43048
|
|
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 |
METHYLENEDIOXYMETHAMPHETAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:214794,
activity:214795,
activity:214796,
activity:214797,
activity:214798,
activity:214799,
activity:214800,
activity:214801,
activity:214802,
activity:214803,
activity:214804,
activity:214805,
activity:214806,
activity:214807,
activity:214808,
activity:214809,
activity:214810,
activity:214811,
activity:214812,
activity:214813,
activity:214814,
activity:214815,
activity:214816,
activity:292861,
activity:292862,
activity:1105750,
activity:1105751,
activity:1105752,
activity:1105753,
activity:1105754,
activity:1605652,
activity:1605653,
activity:1605654,
activity:1605655,
activity:1605656,
activity:1605657,
activity:1605658,
activity:1605659,
activity:2348888,
activity:2348896,
activity:3216572,
activity:3217688,
activity:3217706,
activity:3217724,
activity:3217742,
activity:3217876,
activity:3217881,
activity:3217885,
activity:3343986,
activity:3344014,
activity:3344030,
activity:3344046,
activity:3344074,
activity:3344075,
activity:3344076,
activity:5219265,
activity:5232036,
activity:5232075,
activity:5232089,
activity:5232139,
activity:6075086,
activity:6075087,
activity:6075088,
activity:6075089,
activity:7968706
|
