|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
|
|
chemicalCompound:standardIn... |
JTJMJGYZQZDUJJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C1CCN(CC1)C2(CCCCC2)c3ccccc3
|
|
chemicalCompound:molecularF... |
C17H25N
|
|
chemicalCompound:moleculeId |
5666
|
|
chemicalCompound:mwFreebase |
243.387
|
|
chemicalCompound:alogp |
4.535
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
3.24
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.251
|
|
chemicalCompound:acdLogD |
3.38
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
243.387
|
|
chemicalCompound:acdMostBpk... |
8.21
|
|
chemicalCompound:chemblId |
CHEMBL275528
|
|
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 |
PHENCYCLIDINE
|
|
chemicalCompound:activity |
activity:93913,
activity:93914,
activity:105440,
activity:121193,
activity:197646,
activity:197647,
activity:197648,
activity:197649,
activity:197650,
activity:222131,
activity:263481,
activity:263482,
activity:263483,
activity:263484,
activity:279466,
activity:279467,
activity:279468,
activity:279469,
activity:305008,
activity:305009,
activity:305010,
activity:305011,
activity:341587,
activity:350254,
activity:359352,
activity:359353,
activity:359354,
activity:359355,
activity:359356,
activity:359357,
activity:359358,
activity:359359,
activity:359360,
activity:359361,
activity:359362,
activity:359363,
activity:359364,
activity:359365,
activity:359366,
activity:359367,
activity:359368,
activity:359369,
activity:359370,
activity:359371,
activity:366915,
activity:372914,
activity:405036,
activity:478320,
activity:478321,
activity:478322,
activity:478323,
activity:478324,
activity:478325,
activity:478326,
activity:492046,
activity:492047,
activity:492048,
activity:492049,
activity:749496,
activity:749497,
activity:749498,
activity:749499,
activity:752750,
activity:803447,
activity:853412
|
