10117987 -OEChem-10051722363D 66 71 0 0 0 0 0 0 0999 V2000 9.3040 -0.6099 -0.3528 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2276 -2.2898 -0.3725 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9620 -1.4931 -0.3143 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 1.6237 -0.0124 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9315 0.7796 -0.2727 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4689 1.8126 0.6682 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0659 3.0122 0.4763 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 -0.8973 0.2998 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -0.5575 0.7186 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8627 0.6019 -0.0986 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3983 -1.6456 0.1346 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8813 -2.7603 0.6901 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0119 2.0316 -1.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6206 0.2821 0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 2.0636 -0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0994 0.2567 0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2116 1.6490 -0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 1.7586 0.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2861 0.4292 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3276 0.7580 0.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6581 -0.9129 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2643 1.4220 -0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5512 1.3268 0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3505 2.7010 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5909 0.4378 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0084 -1.2622 -0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6145 1.0727 -0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9865 -0.2694 -0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0039 -1.3999 0.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3130 -0.6956 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7279 -1.0264 -0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6573 -1.8723 0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7224 -0.1101 -0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0713 -1.7937 0.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9094 -0.8587 -0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5556 -2.1791 -0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3033 -1.3853 0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8399 1.3503 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7185 3.0370 -1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0445 -0.0402 1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -0.4553 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0566 2.2861 -1.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7003 2.8707 -0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2614 0.8644 1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3659 -0.7753 1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5135 0.7786 -0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4431 2.5312 -0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7841 2.6692 1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8831 0.9099 1.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9108 -1.6995 -0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0114 2.4757 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0565 3.4972 0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2551 -2.3158 -0.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3724 1.8499 -0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6745 -3.3830 0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9835 -3.1884 0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6030 -2.6299 -0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9970 -2.1486 1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6193 0.9651 -0.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1362 -0.9981 1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3504 -2.7494 1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8989 -0.4830 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1018 -3.1097 -0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9413 -1.1588 -0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6355 -2.3295 0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3973 -0.5738 0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 32 1 0 0 0 0 2 31 1 0 0 0 0 2 36 1 0 0 0 0 3 34 1 0 0 0 0 3 37 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 7 24 2 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 29 1 0 0 0 0 9 20 1 0 0 0 0 9 29 2 0 0 0 0 10 25 2 0 0 0 0 10 30 1 0 0 0 0 11 30 2 0 0 0 0 12 29 1 0 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 21 26 1 0 0 0 0 21 50 1 0 0 0 0 22 27 2 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 52 1 0 0 0 0 26 28 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 30 31 1 0 0 0 0 31 33 2 0 0 0 0 32 34 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 35 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 2 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 M END > DB11864 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DTYWJKSSUANMHD-UHFFFAOYSA-N/SDF?record_type=3d > COCCOC1=CC=C(C=C1)N1CCN(CCN2N=CC3=C2N=C(N)N2N=C(N=C32)C2=CC=CO2)CC1 > InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29) > DTYWJKSSUANMHD-UHFFFAOYSA-N > C25H29N9O3 > 503.567 > 503.23933583 > 9 > 66 > 56.4291285278332 > 1 > 1 > 0 > 0 > 4-(furan-2-yl)-10-(2-{4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl}ethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine > 2.78 > 2.7212552499999996 > -3.36 > 1 > 6 > 1 > 7.95222976539683 > 125.0 > 172.18149999999997 > 9 > 0 > 2.18e-01 g/l > 4-(furan-2-yl)-10-(2-{4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl}ethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine > 0 $$$$