|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H10ClNO3/c19-10-4-6-11(7-5-10)20-17(22)13-3-1-2-12-15(21)9-8-14(16(12)13)18(20)23/h1-9,21H
|
|
chemicalCompound:standardIn... |
AJLGIQNNYJFJPV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc2C(=O)N(C(=O)c3cccc1c23)c4ccc(Cl)cc4
|
|
chemicalCompound:molecularF... |
C18H10ClNO3
|
|
chemicalCompound:moleculeId |
796804
|
|
chemicalCompound:mwFreebase |
323.73
|
|
chemicalCompound:alogp |
3.769
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
57.61
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.67
|
|
chemicalCompound:acdLogP |
3.294
|
|
chemicalCompound:acdLogD |
2.973
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
323.73
|
|
chemicalCompound:acdMostBpk... |
2.779
|
|
chemicalCompound:chemblId |
CHEMBL1372920
|
|
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:3606000,
activity:3616263,
activity:3736049,
activity:3784146,
activity:3841773,
activity:3850770,
activity:4259775,
activity:4299408,
activity:4313747,
activity:4346235,
activity:4357194,
activity:4375595,
activity:4568564,
activity:4598172,
activity:4713029,
activity:4733328,
activity:4745511,
activity:4827405,
activity:4883924,
activity:4971558,
activity:5022240,
activity:5429152,
activity:5500933,
activity:5513601,
activity:5567596,
activity:5655767,
activity:5687077,
activity:5798777,
activity:5878921,
activity:6435197,
activity:6450341,
activity:6459215,
activity:6584756,
activity:6614063,
activity:6721416,
activity:6801756,
activity:6954146,
activity:6997430,
activity:7067282,
activity:7307064,
activity:7354076,
activity:7427399,
activity:7551048,
activity:10788396
|
