I24 Mrv0541 02241213452D 32 35 0 0 0 0 999 V2000 5.2472 27.4288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9617 27.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9617 26.1913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2472 25.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5327 27.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5327 26.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7481 25.9363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2632 26.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7481 27.2712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2472 24.9538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6761 27.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5327 24.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8183 24.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1038 24.5413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1038 23.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3893 23.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6749 23.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6749 24.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3893 24.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6761 28.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3906 28.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3906 29.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1051 29.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4932 28.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6862 28.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1342 27.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3272 27.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0723 28.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6243 29.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4313 29.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3891 26.8296 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9833 29.6251 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 32 1 0 0 0 0 M END > DB07937 > drugbank > CCCCOC1=NC(NCCN2CCOCC2)=C2N=CN(CC3=C(F)C=CC=C3F)C2=N1 > InChI=1S/C22H28F2N6O2/c1-2-3-11-32-22-27-20(25-7-8-29-9-12-31-13-10-29)19-21(28-22)30(15-26-19)14-16-17(23)5-4-6-18(16)24/h4-6,15H,2-3,7-14H2,1H3,(H,25,27,28) > UGZWPZWADDDTRN-UHFFFAOYSA-N > C22H28F2N6O2 > 446.4935 > 446.22418058 > 7 > 60 > 0.19716370775679928 > 47.229173664285724 > 1 > 1 > 0 > 1 > 2-butoxy-9-[(2,6-difluorophenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-9H-purin-6-amine > 3.67 > 3.6494022486666675 > -3.86 > 1 > 0 > 4 > 0 > 16.498632504128246 > 6.390273342947458 > 77.33 > 119.4112 > 10 > 1 > 6.16e-02 g/l > biotin > 0 > DB07937 > experimental > 2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-ylethyl)-9H-purin-6-amine $$$$