4417 -OEChem-08112011273D 61 63 0 1 0 0 0 0 0999 V2000 -1.4910 -3.4782 -1.0897 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0712 -0.9462 -0.6606 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3671 -1.3511 1.5915 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 0.4903 -0.8317 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9413 -3.6443 0.2282 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4018 -2.5114 1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3904 -5.0150 0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8736 -1.1414 0.6665 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4004 -5.7933 -0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9152 -4.7628 -1.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3462 -0.0328 1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6477 -1.1580 0.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3095 1.3423 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4093 1.8755 0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1301 2.0753 1.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4893 -0.9573 -0.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3114 3.1707 -0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0177 0.4563 -0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6041 1.1520 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 3.3491 0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1168 3.8945 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4111 3.7042 -0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9171 1.8477 -1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1353 -0.0026 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6866 1.6975 -0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5904 2.9712 -1.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6121 2.8045 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6426 -0.0367 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1499 -3.6514 0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4988 -2.4738 1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0736 -2.7085 2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4058 -4.9754 1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7279 -5.4404 1.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2605 -0.9419 -0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0164 -6.6957 -0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3777 -6.0857 -0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5351 -4.9217 -2.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0099 -4.7597 -1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3443 -0.2475 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7168 -0.0240 2.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7221 1.6709 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -1.6966 -0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6712 -1.2968 -1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6983 0.8443 0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5175 1.0851 -1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7344 0.1480 0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8842 3.9193 0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 4.8920 -0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3581 4.6977 -1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4091 2.1983 -2.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9811 1.8775 -1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8351 -1.0407 0.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 0.5417 1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6039 1.1262 -0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4331 3.3949 -1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5513 2.8529 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1935 2.6028 0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 3.8179 -0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9229 -0.5149 -0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0947 0.9587 0.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0987 -0.6213 0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 12 2 0 0 0 0 4 18 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 29 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 13 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 17 1 0 0 0 0 14 19 2 0 0 0 0 15 20 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 25 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 26 1 0 0 0 0 22 49 1 0 0 0 0 23 27 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 28 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 M END > DB13588 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KBAFPSLPKGSANY-UHFFFAOYSA-N/SDF?record_type=3d > CCN(CC)CCOC(=O)C(CC1CCCO1)CC1=CC=CC2=C1C=CC=C2 > InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3 > KBAFPSLPKGSANY-UHFFFAOYSA-N > C24H33NO3 > 383.5237 > 383.246043927 > 3 > 61 > 0.9892048972262312 > 44.740106075805876 > 1 > 0 > 0 > 1 > 2-(diethylamino)ethyl 3-(naphthalen-1-yl)-2-[(oxolan-2-yl)methyl]propanoate > 4.73 > 4.582761381666667 > -5.78 > 1 > 1 > 3 > 1 > 8.962059476101427 > 38.77 > 113.7688 > 11 > 1 > 6.36e-04 g/l > unii-71TH42O2CQ > 0 $$$$