44229378 -OEChem-10051722323D 73 76 0 0 0 0 0 0 0999 V2000 -0.4216 3.7941 2.2571 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3698 -0.6676 -2.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2514 1.9363 0.5442 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7678 0.3152 0.5036 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1268 -1.1900 1.2704 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1749 2.9238 0.2361 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0603 2.7595 -0.6133 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7947 0.7032 -0.8090 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9606 -0.3814 0.9203 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0583 -0.2946 0.9475 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 -2.5833 0.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0531 2.9101 -0.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2557 3.6599 -0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0388 3.7078 -1.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1014 2.0294 -0.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4039 2.7394 -0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3774 2.9928 -1.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 1.8555 -1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3274 2.0705 -0.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0615 1.8034 0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2913 0.9259 1.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1868 3.0519 1.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1898 -0.5325 -1.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7358 0.8554 0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5898 -1.7084 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6386 -0.5508 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5144 -1.5529 0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 2.2302 2.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 -1.3652 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 -1.8784 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3046 -2.8564 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0489 -2.9698 -0.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9060 -2.6540 1.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0315 -2.1582 -0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0189 -4.1195 -0.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4404 -4.0697 0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3673 -3.9123 1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7461 -3.4201 -1.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 -4.3992 -1.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8511 1.9431 -1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5025 2.6895 0.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 4.6128 -0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7363 3.9056 -1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5897 3.8924 -2.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2133 4.6902 -1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 1.6491 -1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3077 1.1589 0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8683 3.1652 0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1718 3.5969 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1942 2.0390 -2.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 3.6056 -2.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3145 2.4492 -1.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0073 1.5590 -2.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1679 1.1249 -1.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9799 2.6854 -1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0248 1.3349 0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2957 2.7579 0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2229 3.6460 -0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9176 0.7688 2.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3883 1.4411 1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9459 1.1684 2.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 2.5140 3.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2101 2.4085 2.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7290 -0.2212 1.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2859 -3.3227 0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3251 -3.1164 -1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6273 -2.5443 2.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2431 -1.4109 -0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7832 -4.8911 -0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0219 -5.0503 -0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6698 -4.7701 1.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7493 -3.6398 -1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5129 -5.3802 -1.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 23 2 0 0 0 0 3 24 2 0 0 0 0 4 26 2 0 0 0 0 5 29 2 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 58 1 0 0 0 0 8 18 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 21 1 0 0 0 0 9 26 1 0 0 0 0 9 29 1 0 0 0 0 10 24 1 0 0 0 0 10 27 1 0 0 0 0 10 64 1 0 0 0 0 11 29 1 0 0 0 0 11 31 1 0 0 0 0 11 65 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 17 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 28 1 0 0 0 0 23 25 1 0 0 0 0 25 27 1 0 0 0 0 25 32 2 0 0 0 0 26 30 1 0 0 0 0 27 33 2 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 30 31 1 0 0 0 0 30 34 2 0 0 0 0 31 35 2 0 0 0 0 32 36 1 0 0 0 0 32 66 1 0 0 0 0 33 37 1 0 0 0 0 33 67 1 0 0 0 0 34 38 1 0 0 0 0 34 68 1 0 0 0 0 35 39 1 0 0 0 0 35 69 1 0 0 0 0 36 37 2 0 0 0 0 36 70 1 0 0 0 0 37 71 1 0 0 0 0 38 39 2 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 M END > DB11670 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SJZBPVOSFYUHFV-UHFFFAOYSA-N/SDF?record_type=3d > CC(=O)N(CCCCNCCCN1C(=O)NC2=CC=CC=C2C1=O)CCCN1C(=O)NC2=CC=CC=C2C1=O > InChI=1S/C28H34N6O5/c1-20(35)32(17-9-19-34-26(37)22-11-3-5-13-24(22)31-28(34)39)16-7-6-14-29-15-8-18-33-25(36)21-10-2-4-12-23(21)30-27(33)38/h2-5,10-13,29H,6-9,14-19H2,1H3,(H,30,38)(H,31,39) > SJZBPVOSFYUHFV-UHFFFAOYSA-N > C28H34N6O5 > 534.617 > 534.259068219 > 6 > 73 > 57.41879030090827 > 0 > 3 > 0 > 0 > N-[3-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propyl]-N-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propyl]amino}butyl)acetamide > 1.78 > 2.3296047036628664 > -3.90 > 1 > 4 > 1 > 11.742153296355948 > 11.162347790648687 > 10.133768476466958 > 131.16 > 149.63209999999998 > 13 > 0 > 6.71e-02 g/l > N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-(4-{[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]amino}butyl)acetamide > 0 $$$$