Mrv1533004251504022D 23 26 0 0 0 0 999 V2000 1.4229 -2.4457 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.9749 -1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -0.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7464 -0.1215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4139 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -0.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7729 -1.0479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5179 -1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 -2.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1589 -1.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3339 -1.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7819 -2.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2828 0.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9237 0.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 1.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6267 2.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8816 3.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6886 3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2406 2.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9857 1.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 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 7 8 1 0 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 7 12 2 0 0 0 0 12 13 1 0 0 0 0 5 13 2 0 0 0 0 13 14 1 0 0 0 0 2 14 2 0 0 0 0 8 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 18 23 1 0 0 0 0 M END > NP0330184 > NP-MRD > BrC1=CC2=C(NC3=C2C=CN=C3C(=O)CC2=CC=CC=C2)C=C1 > InChI=1S/C19H13BrN2O/c20-13-6-7-16-15(11-13)14-8-9-21-19(18(14)22-16)17(23)10-12-4-2-1-3-5-12/h1-9,11,22H,10H2 > OYTXGTJRWYPFKO-UHFFFAOYSA-N > C19H13BrN2O > 365.23 > 364.021126 > 2 > 36 > 35.5459116642468 > 1 > 1 > 0 > 1 > 1-{6-bromo-9H-pyrido[3,4-b]indol-1-yl}-2-phenylethan-1-one > 4.56 > 4.419803551666666 > -5.57 > 0 > 4 > 0 > 14.021156285174822 > 11.85804588464893 > 2.9157680508632264 > 45.75 > 93.69080000000002 > 3 > 1 > 9.90e-04 g/l > 1-{6-bromo-9H-pyrido[3,4-b]indol-1-yl}-2-phenylethanone > 0 > NP0330184 > 1-{6-bromo-9h-pyrido[3,4-b]indol-1-yl}-2-phenylethanone $$$$