178024 -OEChem-09132317193D 73 76 0 1 0 0 0 0 0999 V2000 -6.8867 -0.8713 0.4050 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.8822 0.0261 0.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8685 -2.2794 0.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 -0.3181 1.3179 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7775 0.6853 -0.8059 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -3.5540 -0.5546 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3404 -0.2129 0.6470 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.0572 0.1888 0.0211 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7022 -1.9764 -0.4743 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4878 -5.5532 0.4348 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9869 -0.0015 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1414 0.0286 1.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 -0.4258 -1.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1654 -1.0171 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7650 1.2909 -0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 0.7510 1.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7501 0.2430 -1.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1034 1.1290 0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 2.5387 -0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9941 2.1932 0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2285 -0.3119 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2168 3.6121 -0.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9348 -0.8772 -0.9802 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5430 3.4419 -0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9858 -0.7566 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 0.1660 -1.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1791 -3.2567 -0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 -4.2769 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5527 1.6932 -1.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3379 -4.5013 -0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7279 -3.8369 1.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5808 2.2012 -0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2808 3.2773 0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8366 1.5970 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2364 3.7494 1.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 2.0692 0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4918 3.1454 1.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6988 0.4848 2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9188 -1.0039 1.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6622 -0.2534 -2.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9483 -1.5088 -1.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3858 -1.5028 -0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9386 -1.8004 0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2315 0.6703 2.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9499 1.8190 0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8482 1.3017 -1.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1911 -0.1894 -2.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2937 2.7139 -0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0155 2.1156 0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8757 4.5931 -0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2407 -1.3257 -1.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2196 4.2920 -0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9710 -1.1344 -1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9056 0.2793 -1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2280 -1.3830 -1.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1484 0.9878 -2.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2786 -0.2869 -2.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6617 -1.7914 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0443 1.2852 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9056 2.5168 -1.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0096 -5.2995 -0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9435 -3.5968 -0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9585 -4.7748 -1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9099 -3.6076 2.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3475 -2.9367 1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3486 -4.6171 2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 -5.4332 1.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0977 -5.8644 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3053 3.7547 0.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0813 0.7563 -1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0025 4.5869 1.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7695 1.5985 0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2358 3.5127 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 25 1 0 0 0 0 4 21 2 0 0 0 0 5 26 1 0 0 0 0 5 29 1 0 0 0 0 6 27 2 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 9 23 1 0 0 0 0 9 27 1 0 0 0 0 9 58 1 0 0 0 0 10 28 1 0 0 0 0 10 67 1 0 0 0 0 10 68 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 2 0 0 0 0 19 22 1 0 0 0 0 19 48 1 0 0 0 0 20 24 1 0 0 0 0 20 49 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 50 1 0 0 0 0 23 26 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 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 69 1 0 0 0 0 34 36 2 0 0 0 0 34 70 1 0 0 0 0 35 37 2 0 0 0 0 35 71 1 0 0 0 0 36 37 1 0 0 0 0 36 72 1 0 0 0 0 37 73 1 0 0 0 0 M END > DB18214 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UMUPQWIGCOZEOY-JOCHJYFZSA-N/SDF?record_type=3d > CC(C)(N)C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N1CCC2(CN(C3=CC=CC=C23)S(C)(=O)=O)CC1 > InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1 > UMUPQWIGCOZEOY-JOCHJYFZSA-N > C27H36N4O5S > 528.67 > 528.240641449 > 6 > 73 > 2.8629823624776005 > 56.61215409714896 > 1 > 2 > 0 > 0 > 2-amino-N-[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-dihydrospiro[indole-3,4'-piperidin]-1'-yl}-1-oxopropan-2-yl]-2-methylpropanamide > 0.6844922266666673 > 1 > 1 > 4 > 1 > 15.165399502410269 > 11.890824348439137 > 8.341526572917761 > 122.03999999999999 > 141.38510000000002 > 7 > 0 > ibutamoren > 0 $$$$