KSH2016-02821657
54 57 0 0 0 0 0 0 0 0999 V2000
7.1179 -9.3935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4207 -7.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8300 -10.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8752 -11.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1103 -7.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7161 -7.9100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4057 -5.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6100 -12.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7311 -4.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3899 -14.7482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4207 -10.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6552 -13.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4970 -9.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7161 -9.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1329 -4.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4283 -17.1281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1699 -17.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4501 -16.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0265 -5.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0039 -7.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2082 -12.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8519 -16.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2770 -11.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2534 -13.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9882 -14.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3606 -18.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2377 -18.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9649 -19.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8977 -6.8476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5194 -7.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9049 -7.3236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2327 -8.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7429 -4.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8582 -14.4702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8086 -10.6044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0373 -10.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3086 -9.3213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9123 -9.9831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0367 -16.1206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6764 -16.8026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2538 -5.1330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6128 -5.8157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5948 -7.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2091 -7.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7182 -12.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8367 -15.7375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9099 -12.2255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7458 -11.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4596 -11.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7813 -14.1372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0154 -15.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8658 -18.9579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7670 -18.8263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9860 -19.9343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 5 1 0 0 0 0
3 1 1 0 0 0 0
4 3 1 0 0 0 0
5 1 1 0 0 0 0
6 14 1 0 0 0 0
7 2 1 0 0 0 0
8 4 1 0 0 0 0
9 7 1 0 0 0 0
10 12 1 0 0 0 0
11 1 1 0 0 0 0
12 8 2 0 0 0 0
13 3 2 0 0 0 0
14 11 1 0 0 0 0
15 7 2 0 0 0 0
16 22 2 0 0 0 0
17 18 1 0 0 0 0
18 10 1 0 0 0 0
19 20 1 0 0 0 0
20 6 1 0 0 0 0
21 4 2 0 0 0 0
22 17 1 0 0 0 0
23 8 1 0 0 0 0
24 21 1 0 0 0 0
25 24 2 0 0 0 0
26 28 2 0 0 0 0
27 17 2 0 0 0 0
28 27 1 0 0 0 0
2 6 1 0 0 0 0
9 19 1 0 0 0 0
25 12 1 0 0 0 0
16 26 1 0 0 0 0
2 29 1 0 0 0 0
5 30 1 0 0 0 0
5 31 1 0 0 0 0
6 32 1 0 0 0 0
9 33 1 0 0 0 0
10 34 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
18 39 1 0 0 0 0
18 40 1 0 0 0 0
19 41 1 0 0 0 0
19 42 1 0 0 0 0
20 43 1 0 0 0 0
20 44 1 0 0 0 0
21 45 1 0 0 0 0
22 46 1 0 0 0 0
23 47 1 0 0 0 0
23 48 1 0 0 0 0
23 49 1 0 0 0 0
24 50 1 0 0 0 0
25 51 1 0 0 0 0
26 52 1 0 0 0 0
27 53 1 0 0 0 0
28 54 1 0 0 0 0
M END
>
KSH2016-02821657-01
>
Kishida2016
>
KS131-3115752
>
ChemBridge
>
56698049
>
C21H26N5O2
>
380.472
>
1
>
3
>
3
>
-10.5584
>
-4.3434
>
2
>
-2.5340
>
1.6535
>
c1cncc(CNc3cccc(C(N2CCN4CCNC(C4C2)=O)=O)c3C)c1
>
ZINC65410685 ZINC65410683
>
50967349
$$$$