KSH2016-02299893
55 58 0 0 0 0 0 0 0 0999 V2000
1.8515 6.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8515 5.2849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5520 4.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5520 3.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8515 2.2844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1508 3.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1508 4.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4495 2.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7483 3.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0476 2.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0476 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7483 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4495 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8515 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1508 0.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5520 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5520 -1.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7466 -2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0455 -1.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3448 -2.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3448 -3.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6442 -4.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6442 -5.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9429 -6.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2416 -5.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2416 -4.4653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.9429 -3.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0455 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7466 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2606 6.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8515 7.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4424 6.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 5.5846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0388 4.4305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3468 5.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3468 2.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0388 3.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6704 3.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3561 5.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7417 4.4305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7482 3.6346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5674 2.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5674 0.4851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7482 -0.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9298 0.4850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0716 -1.7655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7466 -2.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7539 -3.6117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1397 -4.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1247 -6.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9429 -7.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7612 -6.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9429 -3.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5651 0.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7466 1.3849 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 1 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
2 7 1 0 0 0 0
6 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
8 13 2 0 0 0 0
5 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 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 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
22 27 2 0 0 0 0
19 28 2 0 0 0 0
28 29 1 0 0 0 0
16 29 2 0 0 0 0
1 30 1 0 0 0 0
1 31 1 0 0 0 0
1 32 1 0 0 0 0
2 33 1 0 0 0 0
3 34 1 0 0 0 0
3 35 1 0 0 0 0
4 36 1 0 0 0 0
4 37 1 0 0 0 0
6 38 1 0 0 0 0
7 39 1 0 0 0 0
7 40 1 0 0 0 0
9 41 1 0 0 0 0
10 42 1 0 0 0 0
11 43 1 0 0 0 0
12 44 1 0 0 0 0
13 45 1 0 0 0 0
17 46 1 0 0 0 0
18 47 1 0 0 0 0
21 48 1 0 0 0 0
21 49 1 0 0 0 0
23 50 1 0 0 0 0
24 51 1 0 0 0 0
25 52 1 0 0 0 0
27 53 1 0 0 0 0
28 54 1 0 0 0 0
29 55 1 0 0 0 0
M END
>
KSH2016-02299893-01
>
Kishida2016
>
KS122-2509395
>
UkrOrgSynthesis
>
PB339322858
>
C24H26N3O2
>
388.491
>
1
>
1
>
3
>
-10.9686
>
-4.0988
>
2
>
-4.2531
>
3.4199
>
CN2CCN(C(c1ccccc1)C2)C(c4ccc(cc4)OCc3cccnc3)=O
>
HTS1610-04956183 HTS1610-04956184
>
ZINC40069894 ZINC40069893 ZINC40069894 ZINC40069893
>
51935893 51935892 51935891 51935890 45874914
$$$$