6480466 -OEChem-04201811273D 63 67 0 1 0 0 0 0 0999 V2000 10.5140 -0.4763 0.5848 F 0 0 0 0 0 0 0 0 0 0 0 0 12.0004 0.3695 -0.7757 F 0 0 0 0 0 0 0 0 0 0 0 0 10.6322 -1.1676 -1.5110 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.2801 -1.0273 -1.4605 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 1.0753 1.2533 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1932 -2.3120 0.0297 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8789 3.4282 1.0132 O 0 5 0 0 0 0 0 0 0 0 0 0 -10.2719 3.1074 -1.1256 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8366 0.9337 -1.0837 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0433 -0.4844 0.4643 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5258 0.0719 0.4853 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6644 0.9260 -1.2047 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7027 2.7714 -0.0502 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.4571 -1.7330 -0.4671 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8039 0.3478 0.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 1.3176 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2465 -0.7163 1.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5082 0.5894 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0598 -1.4456 0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6260 -0.9763 0.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0085 -1.7019 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9675 -3.1700 -0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2749 -0.9440 0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8460 -0.0155 -0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1510 1.1229 1.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9352 -1.4425 1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9275 -0.9037 -0.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 -1.8605 0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8615 1.6505 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2481 -1.9007 1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2405 -1.3619 -0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0779 1.0403 0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7340 -0.1789 0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6851 2.2237 0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9971 -0.2147 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9482 2.1879 -0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 0.9688 -0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7345 -0.0991 -0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1735 -0.1416 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3698 1.8834 1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0902 2.0630 -0.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0297 -1.4351 1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9404 -0.2456 2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7146 1.3277 -0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7968 0.1722 -1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3942 -2.0459 0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -2.1438 1.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1069 -1.5726 1.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7077 -0.5163 1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9117 -2.2375 -1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7338 -0.6528 -1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0308 -3.1875 -0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4177 -3.7525 0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8852 -3.6761 -1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0580 1.4083 2.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -1.4686 2.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4365 -0.5423 -1.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7592 -2.2846 2.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7022 -1.3427 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2757 -1.1092 0.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1782 3.1760 0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4564 -1.1877 -0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4161 3.1129 -0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 38 1 0 0 0 0 3 38 1 0 0 0 0 4 14 1 0 0 0 0 4 24 1 0 0 0 0 5 15 1 0 0 0 0 5 32 1 0 0 0 0 6 21 1 0 0 0 0 6 28 1 0 0 0 0 7 13 1 0 0 0 0 8 13 2 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 23 1 0 0 0 0 11 20 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 24 2 0 0 0 0 12 29 1 0 0 0 0 13 29 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 25 29 2 0 0 0 0 25 55 1 0 0 0 0 26 30 1 0 0 0 0 26 56 1 0 0 0 0 27 31 2 0 0 0 0 27 57 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 60 1 0 0 0 0 34 36 2 0 0 0 0 34 61 1 0 0 0 0 35 37 2 0 0 0 0 35 62 1 0 0 0 0 36 37 1 0 0 0 0 36 63 1 0 0 0 0 M CHG 2 7 -1 13 1 M END > DB11637 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XDAOLTSRNUSPPH-XMMPIXPASA-N/SDF?record_type=3d > C[C@]1(COC2=CC=C(C=C2)N2CCC(CC2)OC2=CC=C(OC(F)(F)F)C=C2)CN2C=C(N=C2O1)[N+]([O-])=O > InChI=1S/C25H25F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-4-2-17(3-5-18)30-12-10-20(11-13-30)36-19-6-8-21(9-7-19)37-25(26,27)28/h2-9,14,20H,10-13,15-16H2,1H3/t24-/m1/s1 > XDAOLTSRNUSPPH-XMMPIXPASA-N > C25H25F3N4O6 > 534.492 > 534.17261903 > 8 > 63 > 51.59129103689365 > 0 > 0 > 0 > 0 > 1-(4-{[(2R)-2-methyl-6-nitro-2H,3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy}phenyl)-4-[4-(trifluoromethoxy)phenoxy]piperidine > 5.71 > 6.143707376000002 > -5.38 > 1 > 5 > 0 > 5.5102137247117415 > 101.11999999999999 > 124.85470000000001 > 9 > 0 > 2.22e-03 g/l > delamanid > 0 $$$$