4935 -OEChem-10051719233D 47 47 0 0 0 0 0 0 0999 V2000 1.5215 0.4055 -0.1367 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6304 -0.2906 0.7613 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9373 2.6183 -0.3843 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1241 -0.2737 -0.5186 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5397 -2.1740 0.7640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7087 -0.5524 -0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7492 0.2730 0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8180 -1.4870 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8887 0.7252 -0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2057 0.6259 0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7767 -2.5552 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7396 0.9856 0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6487 1.4499 -0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3487 0.1144 0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2974 -0.8024 0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9929 -0.3668 0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 1.9024 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5797 -0.0405 -0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0955 1.4669 0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6606 -1.1091 -0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7031 -0.9151 -1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5244 -1.0416 0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3087 -1.2355 -1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2562 1.2152 0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -0.3668 1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3387 -1.8760 -1.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8502 -1.2853 -1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1996 1.4506 0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9967 1.1810 -1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -0.2569 0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3299 1.2080 -0.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5803 1.2408 1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7640 -2.8356 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3563 -2.2953 1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2352 -3.4687 -0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1947 -1.1049 0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6145 2.9604 -0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0198 0.9510 -0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0950 -0.0585 -1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9025 2.1944 0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2023 -2.1007 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1415 -1.0953 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1988 0.0557 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2483 -0.9672 -2.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4679 -1.6953 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4843 -2.4961 0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7734 -2.8338 0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 3 13 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 15 1 0 0 0 0 5 46 1 0 0 0 0 5 47 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 M END > DB00807 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KCLANYCVBBTKTO-UHFFFAOYSA-N/SDF?record_type=3d > CCCOC1=C(N)C=C(C=C1)C(=O)OCCN(CC)CC > InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3 > KCLANYCVBBTKTO-UHFFFAOYSA-N > C16H26N2O3 > 294.3892 > 294.194342708 > 4 > 47 > 0.9892636406971722 > 34.00077680123867 > 1 > 1 > 0 > 1 > 2-(diethylamino)ethyl 3-amino-4-propoxybenzoate > 2.97 > 2.601716341666667 > -2.33 > 0 > 1 > 1 > 1 > 8.961552253097953 > 64.79 > 86.03580000000001 > 10 > 1 > 1.39e+00 g/l > tetrahydrofolic acid > 0 $$$$