51040949 -OEChem-05201911223D 52 54 0 1 0 0 0 0 0999 V2000 4.2819 -1.7443 1.4063 F -1 0 0 0 0 0 0 0 0 0 0 0 -1.6261 -0.6975 -1.6507 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 2.3897 0.5014 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4659 -0.6282 -0.4583 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -0.3467 -0.0917 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0181 -0.8835 0.6231 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3413 -0.4415 0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3572 -1.3327 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 -2.3778 1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2907 -2.8122 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1786 -3.2632 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8623 0.8695 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1924 0.7222 -0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0048 -0.6363 -0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 -1.2059 -0.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3325 2.1708 0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0166 1.8145 -0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1462 3.2713 -0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7554 -1.0910 0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 3.0935 -0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3724 -0.0855 -1.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7193 -0.2843 1.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0876 -1.3602 -1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5607 1.1136 1.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 3.7456 0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 -0.2936 1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6301 -2.4766 2.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0507 -2.7746 1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8082 -3.1287 0.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -3.3122 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2253 -4.3062 0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6101 -3.2355 -0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1041 -0.6924 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 -2.2554 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 1.6886 -1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8153 4.3024 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9453 -0.0538 0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7052 -1.5537 0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 3.9615 -0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1787 -1.0040 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7733 -0.5812 1.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9216 0.3584 -1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0755 0.6480 -0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3904 -2.0850 -1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5643 -1.8347 -0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8631 -1.1469 -2.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5169 1.3655 2.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9918 1.8694 1.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0742 1.1836 2.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 4.2988 1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 4.2382 -0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4293 3.7452 0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 14 2 0 0 0 0 3 16 1 0 0 0 0 3 25 1 0 0 0 0 4 8 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 5 14 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 15 19 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 17 20 2 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 M ISO 1 1 18 M END > DB15380 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZVDVQPLDTTXLKI-LSKWOKDISA-N/SDF?record_type=3d > CCN(CC)C(=O)[C@H]1CCCC2=C1C1=C(OC)C=CC=C1N2CC[18F] > InChI=1S/C20H27FN2O2/c1-4-22(5-2)20(24)14-8-6-9-15-18(14)19-16(23(15)13-12-21)10-7-11-17(19)25-3/h7,10-11,14H,4-6,8-9,12-13H2,1-3H3/t14-/m0/s1/i21-1 > ZVDVQPLDTTXLKI-LSKWOKDISA-N > C20H27FN2O2 > 345.449 > 345.208190784 > 2 > 52 > 37.6591963361357 > 1 > 0 > 0 > 1 > (4S)-N,N-diethyl-9-[2-(¹⁸F)fluoroethyl]-5-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide > 4.04 > 3.1321201810000003 > -3.85 > 1 > 3 > 0 > -1.0568450513833374 > 34.47 > 97.971 > 6 > 1 > 4.94e-02 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 1 $$$$