KSH2210-02427645
48 50 0 0 0 0 0 0 0 0999 V2000
6.9859 -3.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2772 -1.2282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2848 -2.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9709 -0.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6797 -2.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6797 -1.2282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9935 -4.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0896 -7.2539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7023 -5.7362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3884 -7.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6947 -7.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9709 1.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5910 -3.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4111 -9.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2998 -5.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7250 -10.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1349 -10.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4714 -12.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3658 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1576 -11.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7476 -11.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4790 -14.0045 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.7498 -5.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8060 -8.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6733 -7.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2623 -5.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7972 -0.9289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1615 -3.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1838 -5.4342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9076 -8.2797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2855 -7.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9006 -7.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2403 -9.9141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6058 -9.9988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9870 -0.9611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8417 -0.2035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5625 0.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6396 -12.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2715 -12.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7583 -5.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3421 -5.7084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1511 -8.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3826 -8.4719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3170 -7.5554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1361 -6.8056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6959 -5.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3588 -5.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5682 -6.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 1 1 0 0 0 0
4 6 1 0 0 0 0
5 1 2 0 0 0 0
6 5 1 0 0 0 0
7 1 1 0 0 0 0
8 10 1 0 0 0 0
9 7 1 0 0 0 0
10 11 1 0 0 0 0
11 9 1 0 0 0 0
12 4 2 0 0 0 0
13 3 2 0 0 0 0
14 10 1 0 0 0 0
15 7 2 0 0 0 0
16 14 2 0 0 0 0
17 14 1 0 0 0 0
18 20 1 0 0 0 0
19 6 1 0 0 0 0
20 17 2 0 0 0 0
21 16 1 0 0 0 0
22 18 1 0 0 0 0
23 8 1 0 0 0 0
24 8 1 0 0 0 0
25 24 1 0 0 0 0
26 23 1 0 0 0 0
4 2 1 0 0 0 0
21 18 2 0 0 0 0
26 25 1 0 0 0 0
2 27 1 0 0 0 0
5 28 1 0 0 0 0
9 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
16 33 1 0 0 0 0
17 34 1 0 0 0 0
19 35 1 0 0 0 0
19 36 1 0 0 0 0
19 37 1 0 0 0 0
20 38 1 0 0 0 0
21 39 1 0 0 0 0
23 40 1 0 0 0 0
23 41 1 0 0 0 0
24 42 1 0 0 0 0
24 43 1 0 0 0 0
25 44 1 0 0 0 0
25 45 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
8 48 1 0 0 0 0
M END
>
KSH2210-02427645-01
>
Kishida2210
>
41588943
>
-
>
ChemBridge
>
KS161-5123017
>
C18H21N4O3F
>
360.389
>
0
>
2
>
3
>
1
>
81.7500
>
-12.2959
>
-4.1818
>
-3.793
>
1.676
>
-4.468
>
Fc1ccc(C(N2CCCC2)CNC(C3=CN(C(NC3=O)=O)C)=O)cc1
>
125167743 125167736 118773179
$$$$