9799284 -OEChem-10051722583D 50 53 0 0 0 0 0 0 0999 V2000 7.6573 2.6872 0.6777 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2642 -0.8560 -2.1022 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0974 -0.7530 -1.9113 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5148 -1.9214 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5944 -1.0202 0.1617 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3601 -1.9001 0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7041 -0.8945 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5183 -3.1791 0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7928 -2.2065 0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7634 -0.6592 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9429 -2.8679 0.9821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9252 -1.6740 0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8228 -0.2391 1.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 -0.4673 -0.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6927 0.8694 0.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9374 0.7334 -0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 -0.7610 -0.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2361 1.9270 1.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7165 1.6253 -1.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 0.1616 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0290 2.8452 0.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2667 2.6954 -0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4740 -0.2228 0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7356 1.3591 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5117 0.6384 0.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7733 2.2202 -0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6614 1.8599 0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3635 -1.4668 1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2265 0.0685 -0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7686 -1.2578 -1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5686 -3.7089 -0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9254 -3.8581 1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 -2.9196 0.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8127 -2.6561 -0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 -0.1661 0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.0553 -0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5056 -3.8091 0.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0134 -2.4742 2.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4941 -2.6105 0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0291 -1.2210 1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8763 0.1497 1.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -0.8666 2.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0565 2.0476 2.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8983 1.5077 -2.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4683 3.6864 1.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8865 3.4224 -0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3911 -1.1751 1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0482 1.6544 -1.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 0.3567 1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8894 3.1720 -1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 14 2 0 0 0 0 3 17 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 28 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 11 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 17 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 43 1 0 0 0 0 19 22 1 0 0 0 0 19 44 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 27 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 M END > DB13080 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RNRYULFRLCBRQS-UHFFFAOYSA-N/SDF?record_type=3d > FC1=CC=C(C=C1)C(=O)CN1CCC(CN2CC3=CC=CC=C3C2=O)CC1 > InChI=1S/C22H23FN2O2/c23-19-7-5-17(6-8-19)21(26)15-24-11-9-16(10-12-24)13-25-14-18-3-1-2-4-20(18)22(25)27/h1-8,16H,9-15H2 > RNRYULFRLCBRQS-UHFFFAOYSA-N > C22H23FN2O2 > 366.436 > 366.174356152 > 3 > 50 > 39.62128659482173 > 1 > 0 > 0 > 1 > 2-({1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-isoindol-1-one > 2.96 > 2.884796712333334 > -3.65 > 0 > 4 > 0 > 17.09496444319247 > 14.190337700653025 > 6.445176811822137 > 40.620000000000005 > 103.8716 > 5 > 1 > 8.26e-02 g/l > 2-({1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-3H-isoindol-1-one > 0 $$$$