|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
|
|
chemicalCompound:standardIn... |
VSJKWCGYPAHWDS-FQEVSTJZSA-N
|
|
chemicalCompound:canonicalS... |
CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O
|
|
chemicalCompound:molecularF... |
C20H16N2O4
|
|
chemicalCompound:moleculeId |
5105
|
|
chemicalCompound:mwFreebase |
348.352
|
|
chemicalCompound:alogp |
1.746
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
79.73
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
11.238
|
|
chemicalCompound:acdLogP |
0.954
|
|
chemicalCompound:acdLogD |
0.953
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
348.352
|
|
chemicalCompound:acdMostBpk... |
4.759
|
|
chemicalCompound:chemblId |
CHEMBL65
|
|
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 |
CAMPTOTHECIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:32046,
activity:32047,
activity:32048,
activity:34945,
activity:64798,
activity:64799,
activity:64800,
activity:69349,
activity:72470,
activity:72471,
activity:72472,
activity:72473,
activity:72474,
activity:72475,
activity:72476,
activity:72477,
activity:72478,
activity:72479,
activity:72480,
activity:110523,
activity:110524,
activity:110525,
activity:110526,
activity:126043,
activity:126044,
activity:126045,
activity:126046,
activity:126047,
activity:126048,
activity:126049,
activity:126050,
activity:126051,
activity:126052,
activity:126053,
activity:126054,
activity:126055,
activity:126056,
activity:147664,
activity:147665,
activity:165152,
activity:165153,
activity:165154,
activity:165155,
activity:165156,
activity:165157,
activity:165158,
activity:165159,
activity:198844,
activity:198845,
activity:198846,
activity:198847,
activity:198848,
activity:198849,
activity:198850,
activity:198851,
activity:198852,
activity:198853,
activity:234502,
activity:234503,
activity:234504,
activity:234505,
activity:234506,
activity:234507
|
