72941636 -OEChem-04081911563D 50 53 0 1 0 0 0 0 0999 V2000 6.6565 -0.2194 -1.1514 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4992 1.2430 0.6831 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8467 -2.5081 -0.2516 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0775 -0.0176 -0.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4012 0.3883 0.1659 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5152 0.6060 0.0999 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5696 -0.4280 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3652 1.9727 0.0227 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2771 3.3419 -0.0576 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4433 -0.7403 -0.6013 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5679 -0.6281 -0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6948 1.4598 0.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3643 1.7970 0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -0.7081 0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8157 -1.8948 0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7963 0.3879 0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2309 -1.5526 0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7635 -0.9009 -0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8709 0.7243 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9082 -0.3208 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5433 0.9317 -0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7081 2.0440 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7113 -1.4575 -0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9437 1.0317 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1046 -1.3665 -0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7218 -0.1207 -0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2634 -3.0649 0.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8372 -1.0675 -1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0393 -1.6115 -0.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5146 -0.3657 -1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 1.1141 1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3255 2.3535 0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 2.5834 0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6001 -1.4447 -0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2093 -1.0696 1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5359 2.1943 -0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8148 -2.8309 -0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1495 -2.0212 1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2221 -0.8309 1.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8188 -2.4197 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5692 -0.1899 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1267 -1.6496 -1.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2451 -2.4417 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4466 1.9948 -0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0962 3.5034 -0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6193 4.1098 0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3258 0.9227 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8500 -3.9643 0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8911 -2.3559 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3948 -3.3445 1.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 2 16 2 0 0 0 0 3 25 1 0 0 0 0 3 27 1 0 0 0 0 4 26 1 0 0 0 0 4 47 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 19 1 0 0 0 0 7 19 2 0 0 0 0 7 20 1 0 0 0 0 8 19 1 0 0 0 0 8 22 2 0 0 0 0 9 22 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 36 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M END > DBMET02356 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ILQALIJJROIUDL-UHFFFAOYSA-N/SDF?record_type=3d > [H]OC1=C(OC)C=C2N=C(N=C(N)C2=C1)N1CCN(CC1)C(=O)C1CCCO1 > InChI=1S/C18H23N5O4/c1-26-15-10-12-11(9-13(15)24)16(19)21-18(20-12)23-6-4-22(5-7-23)17(25)14-3-2-8-27-14/h9-10,14,24H,2-8H2,1H3,(H2,19,20,21) > ILQALIJJROIUDL-UHFFFAOYSA-N > C18H23N5O4 > 373.413 > 373.175004241 > 8 > 50 > 39.35135345374803 > 1 > 2 > 0 > 1 > 4-amino-7-methoxy-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinazolin-6-ol > 1.06 > 1.0338335363333344 > -2.13 > 0 > 4 > 1 > 19.92919710942286 > 9.280900056455973 > 7.045254270465603 > 114.04 > 100.69410000000002 > 3 > 1 > 2.80e+00 g/l > 7-O-desmethyl terazosin > 0 $$$$