5073 -OEChem-10051719223D 57 61 0 0 0 0 0 0 0999 V2000 9.1912 -1.7833 0.1494 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9523 1.6240 -0.8664 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4414 -1.6400 -0.7533 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0457 1.0186 0.3337 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5809 -0.9340 -0.1628 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5766 1.7000 -0.6866 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9808 1.3684 0.2111 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7915 0.2812 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 0.2594 -1.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 1.2730 1.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 0.0153 -0.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7618 0.9922 1.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4587 0.8058 0.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2410 0.5438 -0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2894 0.8902 -0.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7445 0.6692 -0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 -0.3053 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1085 -2.2907 -0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4615 -2.5340 0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3969 0.1440 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4041 -1.4136 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8599 -0.1049 0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2236 -0.7450 -0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6495 1.6171 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4036 0.4267 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -1.5810 0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2881 3.0703 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7228 -0.0170 -0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8926 -2.0600 0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9450 -1.2906 0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7374 -0.7190 0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2161 -0.5248 -1.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9613 1.2098 -1.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3399 2.3036 0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8171 1.2110 2.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1104 0.0665 -1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3063 -1.0019 -0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6687 0.0242 2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4057 1.7618 2.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 1.5760 1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6082 -0.1661 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 1.8622 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0087 0.1567 -1.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3801 -3.0122 0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1716 -2.4610 -1.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3577 -2.5743 1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8607 -3.5008 -0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4029 -1.5978 0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5024 -1.3656 -1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9568 -0.0793 1.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4543 0.7301 0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7692 -2.1901 1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2127 3.2609 0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6913 3.4531 1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7206 3.6571 -0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5313 0.5857 -0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0992 -3.0462 1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 6 1 0 0 0 0 2 25 1 0 0 0 0 3 23 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 5 23 1 0 0 0 0 6 14 2 0 0 0 0 7 20 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 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 17 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 23 1 0 0 0 0 16 24 2 0 0 0 0 17 25 2 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 30 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 M END > DB00734 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RAPZEAPATHNIPO-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1 > InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 > RAPZEAPATHNIPO-UHFFFAOYSA-N > C23H27FN4O2 > 410.4845 > 410.211804333 > 4 > 57 > 0.9874658032372806 > 45.27819549786972 > 1 > 0 > 0 > 1 > 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one > 3.27 > 2.6276210843333327 > -3.38 > 0 > 1 > 5 > 1 > 8.763196631411724 > 61.940000000000005 > 114.54920000000001 > 4 > 1 > 1.71e-01 g/l > tetrahydrofolic acid > 0 $$$$