|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
|
|
chemicalCompound:standardIn... |
JUQLTPCYUFPYKE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC1=C(CCN2CCC(=C(c3ccc(F)cc3)c4ccc(F)cc4)CC2)C(=O)N5C=CSC5=N1
|
|
chemicalCompound:molecularF... |
C27H25F2N3OS
|
|
chemicalCompound:moleculeId |
10747
|
|
chemicalCompound:mwFreebase |
477.569
|
|
chemicalCompound:alogp |
5.047
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
61.21
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
5.2
|
|
chemicalCompound:acdLogD |
4.714
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
477.569
|
|
chemicalCompound:acdMostBpk... |
7.738
|
|
chemicalCompound:chemblId |
CHEMBL267777
|
|
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 |
RITANSERIN
|
|
chemicalCompound:activity |
activity:102747,
activity:102748,
activity:160878,
activity:160879,
activity:160880,
activity:160881,
activity:160882,
activity:160883,
activity:174759,
activity:174760,
activity:174761,
activity:174762,
activity:174763,
activity:174764,
activity:174765,
activity:174766,
activity:186263,
activity:321960,
activity:321961,
activity:321962,
activity:321963,
activity:321964,
activity:366727,
activity:366728,
activity:366729,
activity:366730,
activity:366731,
activity:366732,
activity:366733,
activity:366734,
activity:420310,
activity:420311,
activity:420312,
activity:444208,
activity:444209,
activity:444210,
activity:444211,
activity:444212,
activity:444213,
activity:444214,
activity:464590,
activity:464591,
activity:464592,
activity:555584,
activity:555585,
activity:555586,
activity:555587,
activity:555588,
activity:555589,
activity:654078,
activity:897081,
activity:897082,
activity:897083,
activity:897084,
activity:902466,
activity:902467,
activity:902468,
activity:902469,
activity:991195,
activity:991196,
activity:1075066,
activity:1075067,
activity:1075068,
activity:1075069,
activity:1075070,
activity:1075071
|
