|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H26N2S2.ClH/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23;/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1H
|
|
chemicalCompound:standardIn... |
NZFNXWQNBYZDAQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1
|
|
chemicalCompound:molecularF... |
C21H27ClN2S2
|
|
chemicalCompound:moleculeId |
674867
|
|
chemicalCompound:mwFreebase |
370.575
|
|
chemicalCompound:alogp |
5.563
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
57.08
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.9
|
|
chemicalCompound:acdLogD |
3.495
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
407.035
|
|
chemicalCompound:acdMostBpk... |
9.844
|
|
chemicalCompound:chemblId |
CHEMBL1200916
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
THIORIDAZINE HYDROCHLORIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:3473366,
activity:3481335,
activity:3481391,
activity:3481469,
activity:3481535,
activity:3482344,
activity:3482363,
activity:3482389,
activity:3620801,
activity:3635015,
activity:3652855,
activity:3693702,
activity:3697227,
activity:3722786,
activity:3764322,
activity:3764637,
activity:3772538,
activity:3782566,
activity:3839443,
activity:3878714,
activity:3885797,
activity:3927065,
activity:3932195,
activity:3933993,
activity:3941399,
activity:3956540,
activity:3963505,
activity:3969213,
activity:3971833,
activity:3974207,
activity:4008035,
activity:4028589,
activity:4041241,
activity:4066574,
activity:4069663,
activity:4092350,
activity:4193391,
activity:4248876,
activity:4279498,
activity:4358746,
activity:4374700,
activity:4403394,
activity:4405109,
activity:4410397,
activity:4416275,
activity:4421492,
activity:4440169,
activity:4536269,
activity:4539072,
activity:4572332,
activity:4577077,
activity:4639461,
activity:4711890,
activity:4725710,
activity:4861994,
activity:4898009,
activity:4899769,
activity:4921329,
activity:4941056,
activity:4958815,
activity:4960037,
activity:4970578,
activity:4974297
|
