|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)
|
|
chemicalCompound:standardIn... |
OTBXOEAOVRKTNQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl
|
|
chemicalCompound:molecularF... |
C10H7Cl2N3O
|
|
chemicalCompound:moleculeId |
42290
|
|
chemicalCompound:mwFreebase |
256.088
|
|
chemicalCompound:alogp |
1.965
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
44.7
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
11.793
|
|
chemicalCompound:acdLogP |
2.126
|
|
chemicalCompound:acdLogD |
2.126
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
256.088
|
|
chemicalCompound:chemblId |
CHEMBL760
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
ANAGRELIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1997
|
|
chemicalCompound:activity |
activity:93087,
activity:93088,
activity:93089,
activity:93090,
activity:93091,
activity:93092,
activity:93093,
activity:93094,
activity:93095,
activity:93096,
activity:93097,
activity:93098,
activity:93099,
activity:93100,
activity:93101,
activity:93102,
activity:93103,
activity:93104,
activity:93105,
activity:153222,
activity:153223,
activity:153224,
activity:153225,
activity:283490,
activity:283491,
activity:283492,
activity:791075,
activity:791076,
activity:791077,
activity:791078,
activity:791079,
activity:791080,
activity:917619,
activity:1135372,
activity:1135373,
activity:1135374,
activity:1135375,
activity:1135376,
activity:1135377,
activity:1135378,
activity:1135379,
activity:1135380,
activity:1135381,
activity:1135382,
activity:1136483,
activity:1200433,
activity:1200434,
activity:3266973,
activity:4564579,
activity:4836017,
activity:5170293,
activity:5711633,
activity:7836148,
activity:7836149,
activity:7836150,
activity:7836151,
activity:7836152,
activity:7836153,
activity:7836154,
activity:7836155
|
