KSH2210-01879259
59 62 0 0 0 0 0 0 0 0999 V2000
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4.0473 -4.1509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0517 -5.6024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5679 -4.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9142 -4.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3807 0.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5788 -5.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5032 -6.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5395 -3.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8076 -8.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6321 -5.0495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0522 1.7088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4720 -4.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8258 -7.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.4943 -8.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3519 -3.0681 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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16.2812 -4.8652 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.0145 -5.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0896 -4.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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13.2323 -2.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8499 -2.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8601 -10.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1811 -8.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7748 -3.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0149 0.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8601 -8.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2040 -1.2725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4541 -4.2409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.0223 -5.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.0121 -8.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5300 -4.4582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5992 -5.5667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4878 -5.8713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7335 -6.0327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0136 -10.6031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6783 -2.1829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7218 -1.5603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3401 -10.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1841 -7.4216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2025 -2.9339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3980 1.4334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5363 0.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8130 0.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3401 -8.4826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3442 -6.7693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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11 1 1 0 0 0 0
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8 13 1 1 0 0 0
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17 11 2 0 0 0 0
18 26 1 0 0 0 0
19 13 2 0 0 0 0
20 28 1 0 0 0 0
21 15 1 0 0 0 0
22 10 1 0 0 0 0
23 10 1 0 0 0 0
24 10 1 0 0 0 0
25 16 1 0 0 0 0
26 25 1 0 0 0 0
27 11 1 0 0 0 0
28 21 2 0 0 0 0
29 30 2 0 0 0 0
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31 35 1 0 0 0 0
32 21 1 0 0 0 0
33 26 2 0 0 0 0
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2 3 1 0 0 0 0
4 8 1 0 0 0 0
31 20 2 0 0 0 0
29 14 1 0 0 0 0
6 36 1 0 0 0 0
7 37 1 0 0 0 0
8 38 1 0 0 0 0
9 39 1 0 0 0 0
9 40 1 0 0 0 0
12 41 1 0 0 0 0
12 42 1 0 0 0 0
15 43 1 0 0 0 0
15 44 1 0 0 0 0
16 45 1 0 0 0 0
18 46 1 0 0 0 0
25 47 1 0 0 0 0
25 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
31 52 1 0 0 0 0
32 53 1 0 0 0 0
33 54 1 0 0 0 0
34 55 1 0 0 0 0
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4 59 1 0 0 0 0
M END
>
KSH2210-01879259-01
>
Kishida2210
>
18510579
>
-
>
ChemBridge
>
KS131-3305598
>
C23H23N6O3F3
>
488.470
>
0
>
1
>
6
>
2
>
102.2400
>
-12.9524
>
-4.6938
>
-5.093
>
2.654
>
-5.164
>
COC(c3nnn(C4CN(C(C(NCc2cccc(C(F)(F)F)c2)=O)C4)Cc1cccnc1)c3)=O
>
26276071
$$$$