11465695 -OEChem-10051722333D 61 63 0 0 0 0 0 0 0999 V2000 6.0722 0.3273 0.1046 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7186 -2.6890 1.1641 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4658 -2.2511 -0.4973 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6371 -0.5743 1.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2942 1.7577 0.1887 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3938 -2.0045 -0.7004 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6882 -2.3762 -0.6804 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6845 1.1689 -0.0362 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 3.2618 0.2775 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7353 1.4496 -0.1483 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2181 -0.3747 -0.5791 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 0.0429 -0.0596 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5843 1.5549 -0.3223 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -0.6745 -0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4642 -0.1419 -0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -3.0099 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3374 -1.2346 -0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9206 0.1340 -0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5378 1.8806 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1126 -3.6669 0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7694 -1.2353 -0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4764 4.1223 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 3.8318 0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4955 0.2263 -0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0191 4.1625 1.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1998 -3.2616 2.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5877 -0.5966 -0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8525 -0.0191 -0.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6177 -0.2033 -1.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8314 -2.1747 3.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9844 1.3445 -0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8298 2.0807 -0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0625 -0.8578 -0.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4033 -2.5955 -1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1389 -3.7811 -1.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8462 -4.4410 0.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 -4.1357 0.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2848 -1.3798 -0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2037 5.1417 0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 3.8184 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5223 3.3449 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 3.7254 -0.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9516 4.9005 0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8024 0.8845 -0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3445 3.1716 2.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 4.5196 2.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8794 4.8368 1.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3696 -3.7189 2.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9449 -4.0324 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 -1.6597 -0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4924 -1.2807 -1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0564 0.3374 -2.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6786 0.0439 -1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 -1.3880 3.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6566 -1.6988 2.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2127 -2.5808 4.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9550 1.8281 -0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8778 3.1480 -0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2685 -0.9296 -2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9241 -1.8680 -0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9417 -0.4340 -0.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 12 1 0 0 0 0 1 29 1 0 0 0 0 2 20 1 0 0 0 0 2 26 1 0 0 0 0 3 21 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 17 2 0 0 0 0 8 15 1 0 0 0 0 8 19 2 0 0 0 0 9 19 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 18 2 0 0 0 0 10 19 1 0 0 0 0 11 18 1 0 0 0 0 11 24 1 0 0 0 0 11 38 1 0 0 0 0 12 21 1 0 0 0 0 12 44 1 0 0 0 0 13 24 2 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 27 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 30 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 31 1 0 0 0 0 28 33 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 M END > DB11736 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZUHZNKJIJDAJFD-UHFFFAOYSA-N/SDF?record_type=3d > CCOCCN1N=C(C(=O)NS(C)(=O)=O)C2=NC(=NC(NC3=CC(C)=CC=N3)=C12)N(C)CC > InChI=1S/C20H28N8O4S/c1-6-27(4)20-23-15-16(19(29)26-33(5,30)31)25-28(10-11-32-7-2)17(15)18(24-20)22-14-12-13(3)8-9-21-14/h8-9,12H,6-7,10-11H2,1-5H3,(H,26,29)(H,21,22,23,24) > ZUHZNKJIJDAJFD-UHFFFAOYSA-N > C20H28N8O4S > 476.56 > 476.195422588 > 10 > 61 > 51.0916552449515 > 1 > 2 > 0 > 0 > 1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-N-methanesulfonyl-7-[(4-methylpyridin-2-yl)amino]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide > 2.27 > 0.7079431619970102 > -3.56 > 1 > 3 > -1 > 12.359752489726496 > 3.569651555993762 > 4.893569499882552 > 144.23 > 136.36749999999998 > 9 > 1 > 1.32e-01 g/l > 1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-N-methanesulfonyl-7-[(4-methylpyridin-2-yl)amino]pyrazolo[4,3-d]pyrimidine-3-carboxamide > 0 $$$$