|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1
|
|
chemicalCompound:standardIn... |
UCFGDBYHRUNTLO-QHCPKHFHSA-N
|
|
chemicalCompound:canonicalS... |
CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O
|
|
chemicalCompound:molecularF... |
C23H23N3O5
|
|
chemicalCompound:moleculeId |
7501
|
|
chemicalCompound:mwFreebase |
421.446
|
|
chemicalCompound:alogp |
1.577
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
103.2
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
8.916
|
|
chemicalCompound:acdLogP |
0.318
|
|
chemicalCompound:acdLogD |
-0.317
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
421.446
|
|
chemicalCompound:acdMostBpk... |
7.653
|
|
chemicalCompound:chemblId |
CHEMBL84
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
Yes
|
|
chemicalCompound:naturalPro... |
Yes
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
TOPOTECAN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1996
|
|
chemicalCompound:activity |
activity:181130,
activity:181131,
activity:181132,
activity:181133,
activity:192034,
activity:192035,
activity:192036,
activity:192037,
activity:192038,
activity:192039,
activity:192261,
activity:192262,
activity:192263,
activity:192264,
activity:192265,
activity:284743,
activity:284744,
activity:284745,
activity:284746,
activity:284747,
activity:284748,
activity:284749,
activity:302645,
activity:302646,
activity:302647,
activity:302648,
activity:302649,
activity:302650,
activity:302651,
activity:302652,
activity:302653,
activity:302654,
activity:302655,
activity:302656,
activity:302657,
activity:302658,
activity:302659,
activity:302660,
activity:302661,
activity:302662,
activity:302663,
activity:423635,
activity:423636,
activity:423637,
activity:423638,
activity:469924,
activity:469925,
activity:469926,
activity:469927,
activity:469928,
activity:469929,
activity:549969,
activity:549970,
activity:549971,
activity:549972,
activity:580001,
activity:611389,
activity:611390
|
