3702591 -OEChem-03292407212D 41 44 0 0 0 0 0 0 0999 V2000 6.1784 -4.3987 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1235 2.2081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2575 0.7081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9357 -0.5966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5193 0.2081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1235 -0.7919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6235 4.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 4.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 3.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0245 2.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2225 2.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1235 1.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 -0.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9357 1.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2575 -0.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2464 -1.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2249 -1.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5786 -2.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5356 -2.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8892 -3.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8677 -3.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1821 4.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4855 5.0032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7614 5.0032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0649 4.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8056 3.3479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6335 4.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6134 4.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 3.3479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1624 2.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6445 2.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6025 2.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0846 2.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1284 1.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7205 -0.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9719 -2.1636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1422 -2.8318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4752 -3.7035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 13 2 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 5 16 2 0 0 0 0 6 15 1 0 0 0 0 6 17 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 M END > 3702591 > 1 > 379 > 4 > 0 > 2 > AAADceB7gAAEAAAAAAAAAAAAAAAAAWAAAAA8QAAABYAAAFgB/AAAHAIIAAAADArBGyQ98N8IEACiAjZnZACShCsxh6Ad2CAoZpiIKOLB29GEpAhoiALIyCcQAAAAAABAAAAAAAAAAIAAAAAAAAAAAAAAAA== > 4-(azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine > 4-(1-azepanyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine > 4-(azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine > 4-(azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine > 4-(azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine > 4-(azepan-1-yl)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine > InChI=1S/C17H18ClN5/c18-13-5-7-14(8-6-13)23-17-15(11-21-23)16(19-12-20-17)22-9-3-1-2-4-10-22/h5-8,11-12H,1-4,9-10H2 > XJIJEUCZMMGFGF-UHFFFAOYSA-N > 4.1 > 327.1250733 > C17H18ClN5 > 327.8 > C1CCCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl > C1CCCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl > 46.8 > 327.1250733 > 0 > 23 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 14 8 14 15 8 14 16 8 18 19 8 18 20 8 19 21 8 20 22 8 21 23 8 22 23 8 3 13 8 3 17 8 4 15 8 4 5 8 5 16 8 6 15 8 6 17 8 $$$$