8612 -OEChem-10051719313D 37 37 0 0 0 0 0 0 0999 V2000 2.4891 -2.5840 0.8947 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3603 0.0437 -0.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -1.7348 -1.3843 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0379 0.2540 -0.0374 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7035 1.3832 0.5900 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6474 0.6198 0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9477 1.2218 0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3166 -1.0934 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6963 -0.3588 -0.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6792 2.6271 0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7344 -1.5198 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6199 -0.7358 -0.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9626 -0.2118 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8588 -0.9808 0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2683 1.0707 -0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4394 0.8439 0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1095 -0.4482 0.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5187 1.6033 -0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4359 0.6668 1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 1.6062 -0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9838 1.0024 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8891 1.2022 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6952 -1.8379 -0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1336 -1.1820 1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8603 -0.3747 -1.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7933 -1.3717 -0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7814 3.0664 0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5909 2.6644 -1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5137 3.2805 0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4742 -1.0271 0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9895 -1.3323 -0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8437 -2.5967 0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5611 1.6697 -1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8303 -1.0374 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7644 2.6110 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9431 2.3197 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3722 0.8334 1.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 12 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 16 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 M END > DB01161 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VDANGULDQQJODZ-UHFFFAOYSA-N/SDF?record_type=3d > CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1 > InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3 > VDANGULDQQJODZ-UHFFFAOYSA-N > C13H19ClN2O2 > 270.755 > 270.113505569 > 3 > 37 > 0.9892021487560965 > 28.735757219205205 > 1 > 1 > 0 > 1 > 2-(diethylamino)ethyl 4-amino-2-chlorobenzoate > 2.72 > 2.4841019340000003 > -2.32 > 0 > 1 > 1 > 1 > 8.96155163061007 > 55.56 > 75.10480000000001 > 7 > 1 > 1.30e+00 g/l > biotin > 0 $$$$