62871 -OEChem-09011819433D 73 76 0 0 0 0 0 0 0999 V2000 0.9046 3.3603 0.9712 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8420 2.3477 -0.8523 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2656 -1.0446 -0.4679 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3337 -0.6583 1.5397 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0819 -2.2381 0.1921 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7919 -2.2253 -0.1232 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7489 0.1232 -0.2746 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2181 -1.4774 1.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3677 -3.4073 -0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0776 -1.0553 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9286 -2.9855 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3159 -2.6424 0.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3337 -1.4995 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0269 -1.8220 -0.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 -0.9257 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0912 -1.4453 0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2919 1.4551 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1064 -0.2839 -0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1539 2.5497 -0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1482 0.6384 -0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9738 1.7476 0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4797 -1.6124 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4764 -0.2447 -0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3254 -0.6713 0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6787 0.2773 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8369 0.6958 -0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6980 3.8686 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4932 0.2310 -0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0345 1.1867 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5271 3.0602 0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8181 -2.0108 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3892 4.1219 0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8259 -1.0888 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2015 1.5780 -0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3822 2.0972 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7207 -0.5686 1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0278 -2.0697 1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 -4.1209 0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9957 -3.9285 -1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8434 -0.3439 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6821 -0.5215 1.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4466 -3.8928 -1.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6911 -2.3954 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1214 -3.0364 1.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 -3.4570 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 -1.8767 1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9489 -0.7147 1.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8638 -1.0044 -1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4292 -2.6540 -1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0993 -1.7270 -1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8585 -0.5441 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7701 -0.6103 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3229 -2.3054 0.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 0.9609 0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7541 -2.4002 0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1143 0.5422 -1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7779 -1.1106 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0220 -0.4994 0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3689 1.1311 0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5015 1.4890 -1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1392 -0.1563 -1.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 4.7148 -0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2981 0.9402 -0.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3569 0.3996 0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7345 2.0489 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0675 -3.0444 0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0603 5.1496 0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8670 -1.3939 -0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5208 0.7117 -1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8811 2.3526 -1.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1039 2.9851 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7475 1.3355 0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2054 2.3701 -0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 16 1 0 0 0 0 3 24 1 0 0 0 0 4 24 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 18 22 2 0 0 0 0 19 27 1 0 0 0 0 20 28 2 0 0 0 0 21 30 2 0 0 0 0 21 54 1 0 0 0 0 22 31 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 29 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 32 2 0 0 0 0 27 62 1 0 0 0 0 28 33 1 0 0 0 0 28 63 1 0 0 0 0 29 34 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 32 1 0 0 0 0 31 33 2 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 34 35 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 M END > DB14651 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PWEGQJCIAMJJHC-UHFFFAOYSA-N/SDF?record_type=3d > CCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1 > InChI=1S/C28H38ClN3O2S/c1-2-3-4-5-11-28(33)34-21-20-31-18-16-30(17-19-31)14-8-15-32-24-9-6-7-10-26(24)35-27-13-12-23(29)22-25(27)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3 > PWEGQJCIAMJJHC-UHFFFAOYSA-N > C28H38ClN3O2S > 516.14 > 515.2373263 > 4 > 73 > 59.95411913257328 > 0 > 0 > 0 > 0 > 2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethyl heptanoate > 6.41 > 6.611953726666665 > -5.97 > 1 > 4 > 1 > 7.478595184617965 > 36.02 > 148.28109999999995 > 13 > 0 > 5.57e-04 g/l > 2-{4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl}ethyl heptanoate > 0 $$$$