KSH2016-02602570
51 54 0 0 0 0 0 0 0 0999 V2000
-5.7300 -5.8994 0.0000 BR 0 0 0 0 0 0 0 0 0 0 0 0
-5.7300 -4.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0292 -3.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0292 -2.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7300 -1.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7300 0.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4309 0.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4309 2.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1318 3.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8329 2.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5339 3.1004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7652 2.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7652 0.8504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0640 3.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0640 4.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3632 5.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6623 4.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6623 3.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9611 2.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9611 0.8504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1748 -0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7111 -1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2110 -1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7477 -0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3212 0.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3632 2.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8329 0.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1318 0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4309 -2.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4309 -3.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5489 -3.9493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5488 -1.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9505 2.6506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1316 3.7004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5340 3.7004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5444 4.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3632 5.9505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1819 4.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1662 2.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5520 2.2465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4927 0.4777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7311 -0.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2933 -1.6029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6693 -2.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2528 -2.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6288 -1.6029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3632 1.7505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3134 0.5503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1316 -0.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9113 -1.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9112 -3.9493 0.0000 H 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 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
20 24 1 0 0 0 0
24 25 2 0 0 0 0
18 26 1 0 0 0 0
14 26 2 0 0 0 0
10 27 2 0 0 0 0
27 28 1 0 0 0 0
7 28 2 0 0 0 0
5 29 2 0 0 0 0
29 30 1 0 0 0 0
2 30 2 0 0 0 0
3 31 1 0 0 0 0
4 32 1 0 0 0 0
8 33 1 0 0 0 0
9 34 1 0 0 0 0
11 35 1 0 0 0 0
15 36 1 0 0 0 0
16 37 1 0 0 0 0
17 38 1 0 0 0 0
19 39 1 0 0 0 0
19 40 1 0 0 0 0
21 41 1 0 0 0 0
21 42 1 0 0 0 0
22 43 1 0 0 0 0
22 44 1 0 0 0 0
23 45 1 0 0 0 0
23 46 1 0 0 0 0
26 47 1 0 0 0 0
27 48 1 0 0 0 0
28 49 1 0 0 0 0
29 50 1 0 0 0 0
30 51 1 0 0 0 0
M END
>
KSH2016-02602570-01
>
Kishida2016
>
KS122-2860740
>
UkrOrgSynthesis
>
PB101454256
>
C24H21N2O3Br
>
465.347
>
0
>
1
>
3
>
-8.7662
>
-0.4352
>
0
>
-7.1440
>
4.1284
>
[Br]c1ccc(Oc3ccc(NC(c4cccc(c4)CN2CCCC2=O)=O)cc3)cc1
>
HTS1610-04420123
>
ZINC12794025
>
25516811
$$$$