|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H10ClNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)
|
|
chemicalCompound:standardIn... |
VMMDOCYDNRLESP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(=O)Nc1ccc(cc1)C(=O)CCl
|
|
chemicalCompound:molecularF... |
C10H10ClNO2
|
|
chemicalCompound:moleculeId |
832731
|
|
chemicalCompound:mwFreebase |
211.645
|
|
chemicalCompound:alogp |
1.222
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
46.17
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.316
|
|
chemicalCompound:acdLogD |
1.316
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
211.645
|
|
chemicalCompound:chemblId |
CHEMBL1408847
|
|
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:3607834,
activity:3658063,
activity:3698462,
activity:3768716,
activity:3769513,
activity:3773588,
activity:3774825,
activity:3777923,
activity:3778928,
activity:3811202,
activity:3894617,
activity:3902877,
activity:3904798,
activity:3919739,
activity:3950110,
activity:3951367,
activity:4057244,
activity:4078792,
activity:4106409,
activity:4110855,
activity:4169608,
activity:4276820,
activity:4291485,
activity:4335947,
activity:4371321,
activity:4587249,
activity:4634611,
activity:4674476,
activity:4717881,
activity:4723524,
activity:4749379,
activity:4783684,
activity:4862293,
activity:4865150,
activity:4872689,
activity:4872904,
activity:4896439,
activity:4901626,
activity:4902104,
activity:4959170,
activity:4976527,
activity:4980684,
activity:5019624,
activity:5022737,
activity:5069029,
activity:5078271,
activity:5560459,
activity:5643776,
activity:5688592,
activity:5836297,
activity:6447138,
activity:6471533,
activity:6562450,
activity:6580990,
activity:6584670,
activity:6693702,
activity:6739064,
activity:6739283,
activity:6815806,
activity:6962198,
activity:6980907,
activity:7008879,
activity:7026083,
activity:7026104,
activity:7048687,
activity:7048716,
activity:7050654,
activity:7050678
|
