|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H
|
|
chemicalCompound:standardIn... |
FBSMERQALIEGJT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13
|
|
chemicalCompound:molecularF... |
C17H20Cl2N2S
|
|
chemicalCompound:moleculeId |
550303
|
|
chemicalCompound:mwFreebase |
318.864
|
|
chemicalCompound:alogp |
4.739
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
31.78
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.182
|
|
chemicalCompound:acdLogD |
3.241
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
355.325
|
|
chemicalCompound:acdMostBpk... |
9.408
|
|
chemicalCompound:chemblId |
CHEMBL1713
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
CHLORPROMAZINE HYDROCHLORIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:730024,
activity:730025,
activity:730026,
activity:730027,
activity:730028,
activity:730029,
activity:730030,
activity:1962669,
activity:1962670,
activity:1962671,
activity:1962672,
activity:1962673,
activity:1962674,
activity:1962675,
activity:3307649,
activity:3307683,
activity:3307690,
activity:3307700,
activity:3473368,
activity:3481326,
activity:3481370,
activity:3481423,
activity:3481529,
activity:3482374,
activity:3482384,
activity:3482423,
activity:3623300,
activity:3635058,
activity:3660790,
activity:3695072,
activity:3732478,
activity:3884717,
activity:3895766,
activity:3920473,
activity:3937700,
activity:3940441,
activity:3944019,
activity:3961243,
activity:3987920,
activity:4029664,
activity:4045489,
activity:4064392,
activity:4084640,
activity:4278397,
activity:4358219,
activity:4377260,
activity:4395121,
activity:4402395,
activity:4405154,
activity:4406237,
activity:4416320,
activity:4417874,
activity:4535717,
activity:4537576
|
