|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H23N2S.HI/c1-4-23-18(14-13-17-10-8-9-16(3)22(17)23)15-21-24(5-2)19-11-6-7-12-20(19)25-21;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1
|
|
chemicalCompound:standardIn... |
PMUWJCVZYFHUEV-UHFFFAOYSA-M
|
|
chemicalCompound:canonicalS... |
[I-].CCN1\C(=C\c2ccc3cccc(C)c3[n+]2CC)\Sc4ccccc14
|
|
chemicalCompound:molecularF... |
C22H23IN2S
|
|
chemicalCompound:moleculeId |
828676
|
|
chemicalCompound:mwFreebase |
347.496
|
|
chemicalCompound:fullMwt |
474.401
|
|
chemicalCompound:chemblId |
CHEMBL1404792
|
|
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:activity |
activity:3615614,
activity:3640860,
activity:3657707,
activity:3735952,
activity:3749137,
activity:3765725,
activity:3781934,
activity:3848243,
activity:3890000,
activity:3908757,
activity:3952595,
activity:3982983,
activity:3985849,
activity:4040656,
activity:4079229,
activity:4082681,
activity:4092776,
activity:4106211,
activity:4177428,
activity:4244712,
activity:4306104,
activity:4324237,
activity:4342920,
activity:4373840,
activity:4388495,
activity:4451807,
activity:4495716,
activity:4507645,
activity:4597006,
activity:4649796,
activity:4705846,
activity:4729292,
activity:4736927,
activity:4737393,
activity:4763161,
activity:4771531,
activity:4851502,
activity:4933037,
activity:4937770,
activity:4991261,
activity:5075367,
activity:5406080,
activity:5453774,
activity:5513934,
activity:5533252,
activity:5615652,
activity:5649777,
activity:5665482,
activity:5733081,
activity:5778637,
activity:5826127,
activity:5861432,
activity:5862938,
activity:5961510,
activity:5987127,
activity:5996823,
activity:6057454,
activity:6059551,
activity:6069786,
activity:6448907,
activity:6470089,
activity:6546740,
activity:6724003,
activity:6726027,
activity:6773173,
activity:6883091,
activity:6892054,
activity:7001192,
activity:7027127,
activity:7056055,
activity:7160194,
activity:7208012,
activity:7280491,
activity:7319034,
activity:7324033,
activity:7520559,
activity:9829196
|
