|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
|
|
chemicalCompound:standardIn... |
JNNOSTQEZICQQP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc2Nc3ccccc3C(=Nc2c1)N4CCNCC4
|
|
chemicalCompound:molecularF... |
C17H17ClN4
|
|
chemicalCompound:moleculeId |
62934
|
|
chemicalCompound:mwFreebase |
312.797
|
|
chemicalCompound:alogp |
2.887
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
39.66
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.462
|
|
chemicalCompound:acdLogD |
3.273
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
312.797
|
|
chemicalCompound:acdMostBpk... |
8.495
|
|
chemicalCompound:chemblId |
CHEMBL845
|
|
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:prefName |
N-DESMETHYLCLOZAPINE
|
|
chemicalCompound:activity |
activity:1043117,
activity:1058610,
activity:1797358,
activity:2295028,
activity:2295139,
activity:3430202,
activity:3430211,
activity:3430217,
activity:3430220,
activity:3430228,
activity:3430231,
activity:3430240,
activity:3430245,
activity:3430250,
activity:3430255,
activity:3430264,
activity:3430267,
activity:3439268,
activity:3439302,
activity:3780240,
activity:3810783,
activity:3919395,
activity:4410814,
activity:4418090,
activity:4522728,
activity:4974083,
activity:5001966,
activity:5016720,
activity:5070536,
activity:5218906,
activity:5342181,
activity:5508753,
activity:5573108,
activity:5851765,
activity:5978865,
activity:5999715,
activity:6009589,
activity:6011861,
activity:6041669,
activity:6065721,
activity:6429683,
activity:6446460,
activity:6457433,
activity:6836401,
activity:6840589,
activity:7076879,
activity:7457336,
activity:7464136,
activity:7465671,
activity:7494157,
activity:7535834,
activity:7549761,
activity:7553697,
activity:7565347,
activity:7565348,
activity:7565349
|
