Mrv1652310201623162D 21 24 0 0 1 0 999 V2000 3.2147 1.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9726 1.1494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7962 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1672 0.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7145 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 -0.2772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 0.4596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6962 0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 -0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4477 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7537 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 -0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0188 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6753 1.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1801 1.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6146 -0.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4382 -0.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9521 2.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1416 2.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 17 18 1 0 0 0 0 6 18 1 0 0 0 0 2 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > DB12057 > drugbank > COC[C@@]1(C)CCCN2CCC3=C(OC4=CC=CC=C34)[C@H]12 > InChI=1S/C18H23NO2/c1-18(12-20-2)9-5-10-19-11-8-14-13-6-3-4-7-15(13)21-16(14)17(18)19/h3-4,6-7,17H,5,8-12H2,1-2H3/t17-,18-/m1/s1 > OCUKPFWNSAAHRP-QZTJIDSGSA-N > C18H23NO2 > 285.387 > 285.172878985 > 2 > 44 > 33.29634752198893 > 1 > 0 > 0 > 1 > (2S,3S)-3-(methoxymethyl)-3-methyl-17-oxa-7-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene > 3.66 > 3.0491178386666666 > -3.97 > 0 > 4 > 1 > 7.412023749069867 > 25.610000000000003 > 83.83670000000001 > 2 > 1 > 3.07e-02 g/l > (2S,3S)-3-(methoxymethyl)-3-methyl-17-oxa-7-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene > 1 > DB12057 > investigational > ORM-12741 $$$$