3676 -OEChem-11291911483D 39 39 0 0 0 0 0 0 0999 V2000 0.6658 -0.1341 1.4612 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0943 -0.0513 0.1541 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3988 -0.3956 -0.6150 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9647 -0.7259 -0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9035 1.3985 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3466 -0.4130 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7556 -0.1301 -0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6855 -0.3834 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5858 -1.1738 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2323 1.1693 -0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0688 2.1164 0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5916 -1.9108 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9233 -0.9124 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5698 1.4306 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0884 -2.5795 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3515 2.3053 -0.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4152 0.3898 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8847 -0.4518 -1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0397 -1.8162 -0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7853 1.7718 -0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0086 1.7019 0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3689 -0.0807 -1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2034 0.0400 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2548 -0.8084 -1.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 1.6745 1.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9621 2.1381 0.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7962 3.1622 0.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4517 -2.2992 0.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9507 -2.4717 -1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6255 -2.1273 -0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5959 -1.7110 0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9698 2.4393 -0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6513 -2.9034 -0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3364 -2.6621 0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 -3.2811 0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8715 2.0953 -1.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9161 3.2364 -0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5811 2.4817 -0.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4566 0.5935 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 24 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 12 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 17 2 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 M END > DB00281 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NNJVILVZKWQKPM-UHFFFAOYSA-N/SDF?record_type=3d > CCN(CC)CC(=O)NC1=C(C)C=CC=C1C > InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) > NNJVILVZKWQKPM-UHFFFAOYSA-N > C14H22N2O > 234.3373 > 234.173213336 > 2 > 39 > 27.765610056988027 > 1 > 1 > 0 > 1 > 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide > 1.81 > 2.842913359666667 > -2.60 > 0 > 1 > 1 > 13.775423132503196 > 7.754504502964598 > 32.34 > 73.92960000000001 > 5 > 1 > 5.93e-01 g/l > palladium(2+) (4S,5S,14R,15R)-10-acetyl-4-(2-carboxyethyl)-15-ethyl-2-(2-methoxy-2-oxoethyl)-5,9,14,19-tetramethyl-20-[(2-sulfoethyl)carbamoyl]-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),6,8,10,12,16(22),17,19-nonaene-21,23-diide > 1 $$$$