|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
|
|
chemicalCompound:standardIn... |
QZUDBNBUXVUHMW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24
|
|
chemicalCompound:molecularF... |
C18H19ClN4
|
|
chemicalCompound:moleculeId |
2261
|
|
chemicalCompound:mwFreebase |
326.823
|
|
chemicalCompound:alogp |
3.422
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
30.87
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.939
|
|
chemicalCompound:acdLogD |
3.529
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
326.823
|
|
chemicalCompound:acdMostBpk... |
7.331
|
|
chemicalCompound:chemblId |
CHEMBL42
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
CLOZAPINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1989
|
|
chemicalCompound:activity |
activity:42590,
activity:42591,
activity:42592,
activity:43075,
activity:43076,
activity:43077,
activity:66166,
activity:66167,
activity:66168,
activity:66169,
activity:67780,
activity:67781,
activity:67782,
activity:67783,
activity:67784,
activity:67785,
activity:67786,
activity:71312,
activity:71313,
activity:71314,
activity:81643,
activity:81644,
activity:81645,
activity:81646,
activity:81647,
activity:87177,
activity:87178,
activity:87179,
activity:87180,
activity:87181,
activity:87182,
activity:87183,
activity:87184,
activity:87185,
activity:88651,
activity:88652,
activity:88653,
activity:88654,
activity:89490,
activity:89491,
activity:89492,
activity:89493,
activity:100201,
activity:100202,
activity:100203,
activity:105090,
activity:105091,
activity:105092,
activity:122044,
activity:122045,
activity:122046,
activity:122047,
activity:122048,
activity:122049,
activity:122050
|
