6852168 -OEChem-10051721103D 55 58 0 1 0 0 0 0 0999 V2000 6.4453 -2.6091 1.8449 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6787 2.4164 -1.7844 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2472 0.1068 1.3821 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2305 -2.8099 -2.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2239 -0.5348 0.8378 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8785 3.8393 -1.5861 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6884 1.8577 -3.1228 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 0.7832 1.3915 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7478 1.9330 -0.9896 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4627 -1.7384 -0.0786 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9348 2.2320 0.4405 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2387 2.9834 0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2729 1.8878 0.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1403 -0.3842 1.9587 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1357 0.9109 1.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0424 -0.8886 0.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9386 -0.0566 3.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -2.2793 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 -2.2696 -1.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -2.1807 -1.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5019 -2.1661 -2.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9161 1.5581 -0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2925 0.2853 -1.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4835 2.1734 0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2744 -0.4098 -0.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8668 0.2053 0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4602 1.4975 0.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6809 -1.7020 -0.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8485 -0.4897 1.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6578 -2.3780 -0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2404 -1.7730 0.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1031 2.7844 0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1536 3.5575 1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5076 3.6803 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7092 1.6016 -0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0607 2.1985 1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3952 -1.1198 2.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3789 1.2490 -1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7501 0.6564 3.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3949 -0.9627 3.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2923 0.3771 3.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 -3.3351 0.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4681 -1.8235 0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2256 -1.7492 -1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4664 -3.3204 -0.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4588 -2.6917 -1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2469 -1.1373 -1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3514 -1.1203 -2.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0588 -2.6629 -3.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8289 -0.1899 -2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1988 3.1736 0.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9029 1.9903 1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2387 -2.1945 -1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3091 -0.0233 2.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9533 -3.3774 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 9 1 0 0 0 0 2 22 1 0 0 0 0 3 15 2 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 16 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 50 1 0 0 0 0 24 27 2 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 52 1 0 0 0 0 28 30 2 0 0 0 0 28 53 1 0 0 0 0 29 31 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 M END > DB07847 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ICLOZQFWTRAYPX-LIRRHRJNSA-N/SDF?record_type=3d > [H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1=O)C(=O)N1CCOCC1 > InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1 > ICLOZQFWTRAYPX-LIRRHRJNSA-N > C21H24ClN3O5S > 465.95 > 465.11251929 > 5 > 55 > -0.0009171192531764753 > 46.141643839996505 > 1 > 1 > 0 > 1 > 6-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide > 1.45 > 1.0839146103333337 > -3.68 > 0 > 0 > 4 > 0 > 15.952140362284887 > 10.037176166924814 > -3.148441697055195 > 96.02000000000001 > 115.97809999999998 > 4 > 1 > 9.78e-02 g/l > biotin > 0 $$$$