|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
|
|
chemicalCompound:standardIn... |
ZSTKHSQDNIGFLM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc2[nH]cc(CCN(C)C)c2c1
|
|
chemicalCompound:molecularF... |
C13H18N2O
|
|
chemicalCompound:moleculeId |
2232
|
|
chemicalCompound:mwFreebase |
218.295
|
|
chemicalCompound:alogp |
2.501
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
28.26
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.349
|
|
chemicalCompound:acdLogD |
0.489
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
218.295
|
|
chemicalCompound:acdMostBpk... |
9.438
|
|
chemicalCompound:chemblId |
CHEMBL7257
|
|
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 |
5-MEO-DMT
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:80439,
activity:80440,
activity:97204,
activity:97205,
activity:97206,
activity:97207,
activity:97208,
activity:125584,
activity:212317,
activity:212318,
activity:220041,
activity:258474,
activity:258475,
activity:258476,
activity:258477,
activity:258478,
activity:327243,
activity:327244,
activity:327245,
activity:327246,
activity:327247,
activity:327248,
activity:331823,
activity:331824,
activity:331825,
activity:331826,
activity:331827,
activity:451809,
activity:580865,
activity:580866,
activity:644144,
activity:670385,
activity:836351,
activity:959235,
activity:1103800,
activity:1103801,
activity:1176952,
activity:1176953,
activity:1176954,
activity:1176955,
activity:1176956,
activity:1176957,
activity:1187487,
activity:1187488,
activity:1187489,
activity:1187490,
activity:1187491,
activity:1669568,
activity:1669569,
activity:1669571,
activity:1669572,
activity:1669574,
activity:1669575,
activity:1669576,
activity:1669577,
activity:1669578,
activity:1669579,
activity:1669580,
activity:1669581,
activity:1669582,
activity:1669583,
activity:1669584,
activity:1669585,
activity:1669586,
activity:1671893
|
