KSH2016-00283766
60 63 0 0 0 0 0 0 0 0999 V2000
-0.6549 0.1761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8163 1.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5975 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2925 2.5064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2104 2.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5407 3.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1142 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8120 1.7550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.4198 1.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0776 0.4721 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.3243 1.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7178 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0436 3.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8044 4.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5728 3.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5805 0.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6626 -1.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0308 1.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4349 2.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7329 3.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0436 5.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7101 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5558 5.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7874 4.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7723 1.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3470 3.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0308 2.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3288 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2069 2.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6033 5.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0081 -1.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3288 -1.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7262 -0.0994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4975 -0.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1123 1.2355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1465 0.2730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4826 -0.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0722 -1.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6656 -1.9268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2540 -1.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9172 2.9159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7329 3.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3420 6.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1875 -1.4394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2598 6.1630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3874 4.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9495 1.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2385 1.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5211 3.3895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8118 3.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5501 2.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8454 0.6634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1565 2.7323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7869 2.2878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4587 1.5898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0393 5.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3036 5.7739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0631 5.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9991 -2.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8477 -1.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 1 1 0 0 0 0
4 2 2 0 0 0 0
5 3 2 0 0 0 0
6 8 1 0 0 0 0
7 2 1 0 0 0 0
8 11 1 0 0 0 0
9 7 1 0 0 0 0
10 3 1 0 0 0 0
11 16 1 0 0 0 0
12 9 1 0 0 0 0
13 6 2 0 0 0 0
14 6 1 0 0 0 0
15 11 2 0 0 0 0
16 10 1 0 0 0 0
17 1 1 0 0 0 0
18 12 1 0 0 0 0
19 9 2 0 0 0 0
20 19 1 0 0 0 0
21 23 1 0 0 0 0
22 12 2 0 0 0 0
23 14 2 0 0 0 0
24 13 1 0 0 0 0
25 13 1 0 0 0 0
26 14 1 0 0 0 0
27 20 2 0 0 0 0
28 18 2 0 0 0 0
29 25 1 0 0 0 0
30 26 1 0 0 0 0
31 22 1 0 0 0 0
32 31 2 0 0 0 0
5 4 1 0 0 0 0
18 27 1 0 0 0 0
28 32 1 0 0 0 0
21 24 2 0 0 0 0
7 33 1 0 0 0 0
7 34 1 0 0 0 0
8 35 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
17 38 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
19 41 1 0 0 0 0
20 42 1 0 0 0 0
21 43 1 0 0 0 0
22 44 1 0 0 0 0
23 45 1 0 0 0 0
24 46 1 0 0 0 0
25 47 1 0 0 0 0
25 48 1 0 0 0 0
26 49 1 0 0 0 0
26 50 1 0 0 0 0
27 51 1 0 0 0 0
28 52 1 0 0 0 0
29 53 1 0 0 0 0
29 54 1 0 0 0 0
29 55 1 0 0 0 0
30 56 1 0 0 0 0
30 57 1 0 0 0 0
30 58 1 0 0 0 0
31 59 1 0 0 0 0
32 60 1 0 0 0 0
M END
>
KSH2016-00283766-01
>
Kishida2016
>
KS122-0305518
>
ChemBridge
>
7515886
>
C26H28N4OS
>
444.602
>
0
>
1
>
3
>
-8.4095
>
-0.4791
>
0
>
-8.8224
>
6.3345
>
VitasMLab
>
STK127735
>
CCc1cccc(c1NC(CSc2nnc(n2C)Cc4cccc3ccccc43)=O)CC
>
HTS1610-03720136
>
ZINC01143209
>
1315462
$$$$