null CDK 0224162209 null 30 33 0 0 0 0 0 0 0 0999 V2000 9.9292 -1.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2148 -1.3646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5003 -1.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7858 -1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7858 -0.5396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5003 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2148 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0714 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0714 0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3569 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 -0.1271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9279 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 0.6979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9279 1.1104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6424 0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9279 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 11 1 0 0 0 0 15 17 1 1 0 0 0 17 18 1 0 0 0 0 14 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 24 1 0 0 0 0 M END > CHEBI:97248 > N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]oxan-3-yl]-1,3-benzodioxole-5-carboxamide > 2 > C21H29N3O6 > 419.472 > 419.20564 > 0 > CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4 > InChI=1S/C21H29N3O6/c1-23-6-8-24(9-7-23)20(26)11-15-3-4-16(19(12-25)30-15)22-21(27)14-2-5-17-18(10-14)29-13-28-17/h2,5,10,15-16,19,25H,3-4,6-9,11-13H2,1H3,(H,22,27)/t15-,16-,19+/m0/s1 > OCHDOPTVTSINTO-TXPKVOOTSA-N > LSM-8627 $$$$