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Namespace Prefixes

Prefix	IRI
rdf	http://www.w3.org/1999/02/22-rdf-syntax-ns#
n3	http://linked.opendata.cz/ontology/drugbank/
n2	http://linked.opendata.cz/resource/drugbank/property/
xsdh	http://www.w3.org/2001/XMLSchema#

Statements

Subject Item

n2:271B3E81-363D-11E5-9242-09173F13E4C5

n3:propertySource

ChemAxon ALOGPS Vermeer, A.W.P. & Norde, W., Biophys. J. 78:394-404 (2000)

n3:propertyValue

86.18 -0.97 InChI=1S/C22H20ClN3O3S/c23-19-12-11-18(30-19)22(29)25-17-5-3-4-16(17)24-21(28)14-7-9-15(10-8-14)26-13-2-1-6-20(26)27/h1-2,6-13,16-17H,3-5H2,(H,24,28)(H,25,29)/t16-,17+/m0/s1 223.070539179 61 °C (FAB fragment), 71 °C (whole mAb) -0.27 InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23) methyl({tetracyclo[6.6.2.0²,⁷.0⁹,¹⁴]hexadeca-2,4,6,9,11,13-hexaen-1-yl}methyl)amine C8H13NO4S InChIKey=CLBJJWUUSJAAPJ-UHFFFAOYSA-N 9.54 InChIKey=FPXZPCUJZMEBGR-UHFFFAOYSA-N 1 3.01 66.82 198.115698458 280.06301096