178051 -OEChem-10051720293D 65 68 0 1 0 0 0 0 0999 V2000 -0.0459 0.0447 -2.5324 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3717 -2.4711 -1.8259 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7514 1.7950 2.2109 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4724 -0.3759 -3.8535 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1468 0.8546 -2.3742 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4071 -1.0851 -0.2734 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 0.4006 0.6644 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -1.3177 -1.5182 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7380 -2.4073 1.0468 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3621 -3.4739 -0.5122 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 -0.1365 0.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7543 -1.4134 -0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6356 0.0348 1.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6833 -0.2062 -0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9501 -1.2874 -0.3367 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3010 -1.6734 -0.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4966 -2.2952 0.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7122 1.2830 1.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8646 -1.9627 1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3777 0.9378 -1.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 1.6005 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0126 -2.4728 0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9742 -1.1457 2.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1157 1.8790 -0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 0.7013 -2.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2703 -2.1659 1.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1626 2.5963 -0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2319 -0.8388 2.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4941 2.3560 -0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7394 1.4051 -1.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3799 -1.3488 2.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 3.5474 0.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5409 3.0732 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 -2.6967 0.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9692 4.2509 1.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2786 4.0142 0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9908 0.8219 0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5487 -0.4650 1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1252 -2.2201 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7178 -1.8022 -1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5332 0.7872 2.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9312 -0.9055 2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6941 -0.5000 -0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 0.5733 -1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 -0.2749 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -2.3565 1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4703 -3.3085 0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1516 -2.2435 -1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4200 2.4105 0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4235 0.7218 -0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3580 1.9317 -0.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 -3.1107 -0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0869 -0.7400 2.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0928 2.0602 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 -0.0329 -2.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3164 -0.2010 3.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7553 1.2020 -1.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3316 -1.0778 2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9015 3.7484 1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5722 2.9044 -0.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7658 4.9833 2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0973 4.5620 1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5618 -2.7886 0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9091 -1.8217 1.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3064 -3.7456 -0.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 16 2 0 0 0 0 3 18 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 15 1 0 0 0 0 8 48 1 0 0 0 0 9 34 1 0 0 0 0 9 63 1 0 0 0 0 9 64 1 0 0 0 0 10 34 2 0 0 0 0 10 65 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 26 1 0 0 0 0 22 52 1 0 0 0 0 23 28 2 0 0 0 0 23 53 1 0 0 0 0 24 27 1 0 0 0 0 24 54 1 0 0 0 0 25 30 2 0 0 0 0 25 55 1 0 0 0 0 26 31 2 0 0 0 0 26 34 1 0 0 0 0 27 29 1 0 0 0 0 27 32 2 0 0 0 0 28 31 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 33 2 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 32 35 1 0 0 0 0 32 59 1 0 0 0 0 33 36 1 0 0 0 0 33 60 1 0 0 0 0 35 36 2 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 M END > DB04125 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZUWBXGHMVKDMQO-DEOSSOPVSA-N/SDF?record_type=3d > CC(=O)N1CCN(CC1)C(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)NS(=O)(=O)C1=CC=C2C=CC=CC2=C1 > InChI=1S/C26H29N5O4S/c1-18(32)30-11-13-31(14-12-30)26(33)24(16-19-5-4-8-22(15-19)25(27)28)29-36(34,35)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17,24,29H,11-14,16H2,1H3,(H3,27,28)/t24-/m0/s1 > ZUWBXGHMVKDMQO-DEOSSOPVSA-N > C26H29N5O4S > 507.605 > 507.194025131 > 6 > 65 > 0.9990116799089465 > 53.17463792605091 > 1 > 3 > 0 > 0 > 3-[(2S)-3-(4-acetylpiperazin-1-yl)-2-(naphthalene-2-sulfonamido)-3-oxopropyl]benzene-1-carboximidamide > 1.44 > 0.7545036752451396 > -4.24 > 1 > 1 > 4 > 1 > 15.529646668704531 > 10.019778296351834 > 11.471685671344899 > 136.66 > 148.36969999999997 > 6 > 0 > 2.95e-02 g/l > biotin > 0 $$$$