3926 -OEChem-01012010393D 71 74 0 0 0 0 0 0 0999 V2000 -6.2562 -4.9270 -1.6555 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5646 4.3626 -2.1747 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9894 1.1552 1.2017 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2726 0.5963 1.8310 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2939 1.1509 0.6209 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3955 0.0826 -0.8467 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9368 -0.1263 2.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0717 1.9426 1.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2372 0.6622 2.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9493 -0.1951 1.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0847 1.8749 0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6523 0.8433 2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0355 -0.3159 1.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 -0.2255 0.9511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2572 1.0838 -0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9754 -1.4943 0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7888 1.0109 0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6398 0.7948 0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0624 -2.2902 -0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7758 1.5775 -0.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3212 -1.8579 0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0637 1.5768 0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7275 -0.3751 -0.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4950 -3.4499 -1.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0379 2.7096 -1.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7540 -3.0175 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3258 2.7090 -0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8408 -3.8135 -1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3129 3.2755 -1.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0571 -1.2607 0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7105 0.0591 -1.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3698 -1.7121 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0232 -0.3924 -1.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0264 -1.7438 1.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3886 1.0076 -2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3529 -1.2779 -0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6778 -1.1529 2.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3989 0.3519 3.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8181 2.4609 0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 2.5521 2.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 1.4600 3.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2287 -0.2747 3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5357 -0.8045 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8421 -0.7121 1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3452 2.9010 -0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6219 1.3977 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3484 0.8660 3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7478 1.8122 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9183 -1.2524 2.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3261 -0.3788 0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1049 -0.1364 1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9622 0.3480 -1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3438 2.0572 -0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0112 -2.0361 -0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7765 1.1603 -0.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0449 -1.2571 0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8620 1.1569 0.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0947 0.1977 -1.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7857 -4.0680 -1.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2511 3.1484 -2.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8012 -3.3024 -0.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3176 3.1514 -0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6430 -2.4002 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8015 -0.0651 -2.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9055 -1.0351 2.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0608 -1.9249 0.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3254 -2.7046 1.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7354 0.5270 -3.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8991 1.9070 -2.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2907 1.3379 -3.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3750 -1.6292 -0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 3 18 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 18 1 0 0 0 0 6 23 1 0 0 0 0 6 58 1 0 0 0 0 7 10 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 11 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 12 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 51 1 0 0 0 0 15 18 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 17 20 2 0 0 0 0 17 22 1 0 0 0 0 19 24 1 0 0 0 0 19 54 1 0 0 0 0 20 25 1 0 0 0 0 20 55 1 0 0 0 0 21 26 2 0 0 0 0 21 56 1 0 0 0 0 22 27 2 0 0 0 0 22 57 1 0 0 0 0 23 30 2 0 0 0 0 23 31 1 0 0 0 0 24 28 2 0 0 0 0 24 59 1 0 0 0 0 25 29 2 0 0 0 0 25 60 1 0 0 0 0 26 28 1 0 0 0 0 26 61 1 0 0 0 0 27 29 1 0 0 0 0 27 62 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 31 33 2 0 0 0 0 31 35 1 0 0 0 0 32 36 2 0 0 0 0 32 63 1 0 0 0 0 33 36 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 M END > DB13766 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZBIAKUMOEKILTF-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=CC(C)=C1NC(=O)CN1CCN(CCCC(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)CC1 > InChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36) > ZBIAKUMOEKILTF-UHFFFAOYSA-N > C30H35F2N3O > 491.627 > 491.274819085 > 3 > 71 > 0.8493570119615902 > 54.74533706222377 > 1 > 1 > 0 > 0 > 2-{4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl}-N-(2,6-dimethylphenyl)acetamide > 4.98 > 6.584915623333333 > -5.74 > 1 > 1 > 4 > 1 > 13.775330891045556 > 7.755941302952125 > 35.58 > 144.12849999999995 > 9 > 0 > 8.87e-04 g/l > mizolastine > 1 $$$$