Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:synonym
chemicalCompound:standardIn...
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
chemicalCompound:standardIn...
FBOZXECLQNJBKD-ZDUSSCGKSA-N
chemicalCompound:canonicalS...
CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
chemicalCompound:molecularF...
C20H22N8O5
chemicalCompound:moleculeId
49931
chemicalCompound:mwFreebase
454.439
chemicalCompound:alogp
0.114
chemicalCompound:hba
12
chemicalCompound:hbd
5
chemicalCompound:psa
210.53
chemicalCompound:rtb
9
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
3.474
chemicalCompound:acdLogP
-0.446
chemicalCompound:acdLogD
-5.101
chemicalCompound:molecularS...
chemicalCompound:fullMwt
454.439
chemicalCompound:acdMostBpk...
5.55
chemicalCompound:chemblId
CHEMBL34259
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...
Yes
chemicalCompound:proDrug
No
chemicalCompound:prefName
METHOTREXATE
chemicalCompound:chebiParen...
chemicalCompound:activity
activity:69319, activity:69320, activity:69321, activity:69322, activity:69323, activity:69324, activity:69325, activity:69326, activity:69327, activity:69328, activity:69329, activity:69330, activity:507771, activity:507772, activity:939068, activity:939069, activity:939070, activity:939071, activity:1406254, activity:1406255, activity:1406256, activity:1406257, activity:1406258, activity:1427992, activity:1495397, activity:1495398, activity:1495399, activity:1495400, activity:1495401, activity:1495402, activity:1495403, activity:1495404, activity:1495405, activity:1495406, activity:1495407, activity:1495408, activity:1495409, activity:1495410, activity:1495411, activity:1495412, activity:1495413, activity:1883218, activity:1904652, activity:1904670, activity:1904685, activity:1904877, activity:1904878, activity:1904879, activity:1904880, activity:1904881, activity:1904882, activity:1904883, activity:1904884, activity:1906534, activity:1906535, activity:1906536, activity:1906537, activity:1906538, activity:1906539, activity:1906540, activity:1906541, activity:1906542, activity:1960233, activity:1960250, activity:2059978, activity:2060133, activity:2069335, activity:2069336, activity:2085132, activity:2182618, activity:2182619, activity:2182675, activity:2182730, activity:2182734, activity:2202396, activity:2202397, activity:2219757, activity:2219758, activity:2222068, activity:2228837, activity:2228843, activity:2228849, activity:2228855, activity:2228861, activity:2228867, activity:2228873, activity:2228879, activity:2228885, activity:2228891, activity:2228909, activity:2357379, activity:2444444, activity:2559193, activity:2559211, activity:2559218, activity:2559235, activity:2559255, activity:2559275, activity:2559295, activity:2559315, activity:2559335, activity:3473395, activity:3622536, activity:3629682, activity:3636017, activity:3654185, activity:3684801, activity:3693442, activity:3697270, activity:3711194, activity:3734323, activity:3773437, activity:3799965, activity:3811582, activity:3882144, activity:3897396, activity:3908536, activity:3930287, activity:3934559, activity:3941414, activity:3964146, activity:3974277, activity:4011671, activity:4055680, activity:4067637, activity:4127147, activity:4183510, activity:4196181, activity:4279552, activity:4363188, activity:4369134, activity:4403420, activity:4444040, activity:4487755, activity:4526735, activity:4531988, activity:4536322, activity:4539108, activity:4715489, activity:4753964, activity:4805150, activity:4807710, activity:4836539, activity:4850533, activity:4851805, activity:4857045, activity:4859521, activity:4861017, activity:4861900, activity:4885977, activity:4974412, activity:5067928
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