|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19)
|
|
chemicalCompound:standardIn... |
USFUFHFQWXDVMH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)sn1
|
|
chemicalCompound:molecularF... |
C14 H14 N4 O S
|
|
chemicalCompound:moleculeId |
153148
|
|
chemicalCompound:mwFreebase |
286.352
|
|
chemicalCompound:alogp |
2.441
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
87.19
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.001
|
|
chemicalCompound:acdLogP |
2.112
|
|
chemicalCompound:acdLogD |
2.107
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
286.352
|
|
chemicalCompound:acdMostBpk... |
5.623
|
|
chemicalCompound:chemblId |
CHEMBL323356
|
|
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:270742,
activity:270743,
activity:270744,
activity:270745,
activity:270746,
activity:270747,
activity:270748,
activity:270749,
activity:270750,
activity:270751,
activity:270752,
activity:270753,
activity:270754,
activity:270755,
activity:270756,
activity:270757,
activity:879406,
activity:879407,
activity:879408,
activity:879409,
activity:879410,
activity:3472827,
activity:3486838,
activity:3486839,
activity:3486840,
activity:3486841,
activity:3486842,
activity:3486843,
activity:3637007,
activity:3673073,
activity:3692451,
activity:3695194,
activity:3701079,
activity:3805578,
activity:3836746,
activity:3868174,
activity:3911233,
activity:3940492,
activity:3946369,
activity:3946759,
activity:3955945,
activity:3988093,
activity:4014292,
activity:4023802,
activity:4032258,
activity:4084731,
activity:4130758,
activity:4278545,
activity:4383746,
activity:4388184,
activity:4422473,
activity:4513823,
activity:4519035,
activity:4535853,
activity:4538215,
activity:4541520,
activity:4551072,
activity:4559391,
activity:4583847,
activity:4617641,
activity:4655545,
activity:4745930,
activity:4748072,
activity:4770291,
activity:4809324,
activity:4837946
|
