12001014 -OEChem-10051722343D 74 77 0 0 0 0 0 0 0999 V2000 3.5232 0.9166 2.4458 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0836 2.2684 2.7172 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2818 0.1683 3.4253 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 -0.6280 -4.6245 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2171 -2.2886 1.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 3.6705 0.9475 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 0.8907 0.9539 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 0.4921 -1.7932 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6277 2.2007 -0.9529 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1587 -0.1569 -0.2721 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5499 1.7792 1.0319 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7736 1.7280 -0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7391 -0.4618 0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7601 1.8275 -1.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7068 -0.3202 -0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0314 0.5952 -2.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1014 -0.0373 2.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3114 -0.7775 -3.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9822 0.6036 1.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -0.1503 1.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2344 0.5053 -0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2394 0.1049 -1.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1283 -1.4113 2.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4805 1.7923 -0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3497 0.5472 0.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3682 -1.1958 -2.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1297 -1.5346 1.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0969 1.1807 -1.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0051 -2.1652 1.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2665 3.4913 -0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6414 2.5194 0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 -2.2224 -1.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2850 3.5172 0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3425 -3.5433 -2.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1152 -3.6958 1.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4137 -4.3532 0.7784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3841 -5.8570 0.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 2.7382 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8341 1.2916 -0.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8538 -1.0099 0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2305 -1.0333 1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6585 2.3701 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2916 2.4142 -2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9157 -1.3421 -1.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6505 0.1209 -0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9742 1.0821 -2.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5922 1.2232 -3.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3925 -1.2524 -3.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8126 -1.4630 -2.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 1.6803 1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0020 -1.9212 2.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8391 -1.0474 -3.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3727 -1.6105 -2.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9293 -1.1045 -0.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0003 1.3041 -2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0913 -3.2337 2.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7666 3.7061 -1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5032 4.2629 -0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1862 -1.8149 -1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7107 -2.4033 -0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0170 -0.2355 -4.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8128 3.3080 1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7608 4.5009 0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0685 2.7683 0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8566 -3.4010 -3.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3653 -3.9948 -2.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9270 -4.2476 -1.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3003 -4.1137 0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -3.9135 2.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5987 -4.1258 -0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2545 -3.9174 1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2399 -6.1057 2.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3285 -6.3027 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5743 -6.3165 0.4092 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 17 1 0 0 0 0 4 18 1 0 0 0 0 4 61 1 0 0 0 0 5 27 1 0 0 0 0 5 35 1 0 0 0 0 6 31 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 24 1 0 0 0 0 9 28 1 0 0 0 0 9 30 1 0 0 0 0 10 21 1 0 0 0 0 10 25 1 0 0 0 0 10 54 1 0 0 0 0 11 25 2 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 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 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 19 2 0 0 0 0 17 23 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 25 1 0 0 0 0 20 27 2 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 26 1 0 0 0 0 22 28 2 0 0 0 0 23 29 2 0 0 0 0 23 51 1 0 0 0 0 24 31 1 0 0 0 0 26 32 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 29 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 30 33 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 32 34 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 35 36 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 36 37 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 M END > DB11792 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MIJFNYMSCFYZNY-UHFFFAOYSA-N/SDF?record_type=3d > CCCOC1=CC=C(C=C1C1=NC2=C(N(CC)C=C2CCC)C(=O)N1)S(=O)(=O)N1CCN(CCO)CC1 > InChI=1S/C26H37N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33) > MIJFNYMSCFYZNY-UHFFFAOYSA-N > C26H37N5O5S > 531.67 > 531.251540485 > 7 > 74 > 57.74862575668062 > 1 > 2 > 0 > 0 > 5-ethyl-2-(5-{[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl}-2-propoxyphenyl)-7-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one > 2.85 > 2.4420465996211034 > -3.47 > 1 > 4 > 0 > 15.593095519035643 > 7.685300630811118 > 5.825892946215912 > 116.46999999999998 > 146.61469999999997 > 10 > 0 > 1.81e-01 g/l > mirodenafil > 0 $$$$