|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
|
|
chemicalCompound:standardIn... |
JTEJPPKMYBDEMY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc2[nH]cc(CCN)c2c1
|
|
chemicalCompound:molecularF... |
C11H14N2O
|
|
chemicalCompound:moleculeId |
2207
|
|
chemicalCompound:mwFreebase |
190.242
|
|
chemicalCompound:alogp |
1.534
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
51.04
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.317
|
|
chemicalCompound:acdLogD |
-0.846
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
190.242
|
|
chemicalCompound:acdMostBpk... |
9.471
|
|
chemicalCompound:chemblId |
CHEMBL8165
|
|
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-METHOXYTRYPTAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:72105,
activity:72106,
activity:72107,
activity:72108,
activity:81649,
activity:225217,
activity:225218,
activity:225219,
activity:225220,
activity:247492,
activity:247493,
activity:247494,
activity:247495,
activity:247496,
activity:329334,
activity:329335,
activity:329336,
activity:329337,
activity:329338,
activity:463477,
activity:648847,
activity:648848,
activity:648849,
activity:648850,
activity:648851,
activity:648852,
activity:724356,
activity:724357,
activity:800588,
activity:800589,
activity:860878,
activity:981894,
activity:1127764,
activity:1127765,
activity:1420128,
activity:2439828,
activity:2439831,
activity:2681021,
activity:2681024,
activity:2681026,
activity:3601457,
activity:3601465,
activity:3675764,
activity:3921053,
activity:4068344,
activity:4274795,
activity:4439069,
activity:4588946,
activity:4618256,
activity:5374380,
activity:5775935,
activity:5819318,
activity:5996252,
activity:6003635,
activity:6038272,
activity:6040444,
activity:6041373,
activity:6943555,
activity:7122323,
activity:7354787
|
