25027363 -OEChem-10051722503D 83 88 0 1 0 0 0 0 0999 V2000 6.4605 -2.7861 -0.2651 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8142 0.7901 -0.8616 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9799 -1.8643 -1.2562 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2281 -4.1787 -0.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0358 -2.1597 0.4238 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 -2.6540 0.2791 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6972 1.3355 0.4181 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1719 1.7865 0.6032 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0492 1.8960 -0.8523 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9750 1.3639 -0.6770 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3983 1.3853 -0.7267 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6715 1.6978 1.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8153 1.4480 -2.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6605 1.5924 0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2951 1.8363 -1.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7995 1.1420 1.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2386 -0.1564 -0.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3518 2.1216 -1.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3615 0.7930 -0.6112 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2872 3.3201 0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7315 1.4838 -1.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0348 -0.3609 1.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8797 -0.6884 0.5329 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8600 1.7521 1.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9901 -0.7160 -0.3653 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2036 1.6691 0.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3096 -1.2266 0.2133 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3061 -0.5383 -0.6955 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7008 -0.6292 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9908 2.0566 2.8331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5629 -1.5092 -1.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0424 -2.1178 0.1067 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9206 -2.8662 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3785 -2.2686 0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5499 -2.7499 1.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 0.2383 0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 2.9946 -0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9624 1.8461 -0.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 0.3123 -0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 2.7207 1.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7313 0.9984 2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 0.3642 -2.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3889 1.9099 -2.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3774 2.9278 -2.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 1.4385 -2.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7695 1.6169 2.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1769 1.3438 2.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3093 -0.7051 -0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8862 -0.3643 -1.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9073 2.2106 -2.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4835 3.1539 -1.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8151 3.6467 1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 3.6255 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8355 3.8878 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4099 2.2784 -2.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7064 0.7965 -2.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5428 -0.7150 2.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0767 -0.8933 1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 -0.2291 0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 -0.8255 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5295 2.6941 0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 1.3253 1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3837 -0.8246 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3298 -0.9929 -1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4281 -0.1485 -0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7443 -0.0781 0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5034 -2.7364 1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -1.1387 -2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4011 -2.5630 -1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3041 -1.4702 -2.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5713 2.9747 2.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0339 2.2017 3.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5099 1.2367 3.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8842 -3.1152 0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1435 -2.5815 -0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9077 -2.5573 1.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1338 -3.9414 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6437 -3.3254 0.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3421 -1.8231 1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1807 -1.7774 0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1186 -3.3565 1.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6869 -1.7165 1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5097 -3.1710 0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 35 1 0 0 0 0 2 19 1 0 0 0 0 2 28 1 0 0 0 0 5 23 1 0 0 0 0 5 67 1 0 0 0 0 6 27 1 0 0 0 0 6 33 1 0 0 0 0 6 74 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 36 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 37 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 38 1 0 0 0 0 11 14 1 0 0 0 0 11 18 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 24 2 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 22 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 23 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 21 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 23 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 29 32 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 M END > DB12655 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HZLFFNCLTRVYJG-WWGOJCOQSA-N/SDF?record_type=3d > C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)NS(C)(=O)=O > InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1 > HZLFFNCLTRVYJG-WWGOJCOQSA-N > C29H48N2O3S > 504.77 > 504.338564588 > 4 > 83 > 60.42837639076663 > 1 > 2 > 0 > 0 > N-[(3R,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethyl-2,3,3'a,4,4',4a,5,5',6,6',6a,6b,7,7',7'a,8,10,12,12a,12b-icosahydro-1H,3'H-spiro[azuleno[2,1-a]naphthalene-9,2'-furo[3,2-b]pyridine]-3-yl]methanesulfonamide > 3.77 > 3.56544186070173 > -6.04 > 0 > 6 > 1 > 11.57691572411342 > 9.994420743780218 > 67.42999999999999 > 140.77639999999997 > 1 > 0 > 4.64e-04 g/l > N-[(3R,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethyl-1,2,3,3'a,4,4',4a,5,5',6,6',6a,6b,7,7',7'a,8,10,12,12a-icosahydro-3'H-spiro[azuleno[2,1-a]naphthalene-9,2'-furo[3,2-b]pyridine]-3-yl]methanesulfonamide > 0 $$$$