|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
|
|
chemicalCompound:standardIn... |
VHFVKMTVMIZMIK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1cccc(c1)N2CCNCC2
|
|
chemicalCompound:molecularF... |
C10H13ClN2
|
|
chemicalCompound:moleculeId |
5884
|
|
chemicalCompound:mwFreebase |
196.677
|
|
chemicalCompound:alogp |
2.078
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
15.27
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.739
|
|
chemicalCompound:acdLogD |
0.559
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
196.677
|
|
chemicalCompound:acdMostBpk... |
8.852
|
|
chemicalCompound:chemblId |
CHEMBL478
|
|
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 |
CHLOROPHENYLPIPERAZINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:92680,
activity:92681,
activity:92682,
activity:92683,
activity:180132,
activity:180133,
activity:239370,
activity:239371,
activity:239372,
activity:239373,
activity:239374,
activity:239375,
activity:239376,
activity:258266,
activity:258267,
activity:258268,
activity:258269,
activity:258270,
activity:258271,
activity:258272,
activity:258273,
activity:258274,
activity:258275,
activity:258276,
activity:394222,
activity:394223,
activity:394224,
activity:394225,
activity:394226,
activity:394227,
activity:394228,
activity:394229,
activity:394230,
activity:419454,
activity:503990,
activity:503991,
activity:678857,
activity:774138,
activity:774139,
activity:774140,
activity:774141,
activity:850877,
activity:997243,
activity:997244,
activity:997245,
activity:997246,
activity:997247,
activity:997248,
activity:997249,
activity:997250,
activity:1114793,
activity:1114794,
activity:1679070,
activity:1679155,
activity:1679180,
activity:1679182,
activity:1679197,
activity:1679235,
activity:1679250,
activity:1679265,
activity:1679280,
activity:1823019,
activity:1823020
|
