COMPOUND: C20202
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Entry
C20202 Compound
Name
BRACO-19;
9-[4-(N,N-Dimethylamino)phenylamino]-3,6-bis (3-pyrrolodino-propionamido) acridine
Formula
C35H43N7O2
Exact mass
593.3478
Mol weight
593.76
Structure
Mol file
KCF file
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PubChem:
163311945
PDB-CCD:
BRA
[
PDBj
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KCF data
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ATOM 44
1 C8y C 12.6700 -17.1500
2 C8y C 12.6700 -18.5500
3 N5x N 13.8824 -19.2500
4 C8y C 15.0949 -18.5500
5 C8y C 15.0949 -17.1500
6 C8y C 13.8824 -16.4500
7 C8x C 11.4576 -16.4500
8 C8x C 10.2451 -17.1500
9 C8y C 10.2451 -18.5500
10 C8x C 11.4576 -19.2500
11 C8x C 16.3073 -19.2500
12 C8y C 17.5197 -18.5500
13 C8x C 17.5197 -17.1500
14 C8x C 16.3073 -16.4500
15 N1b N 13.8824 -15.0502
16 C8y C 15.0780 -14.3598
17 C8x C 16.2652 -15.0452
18 C8x C 17.4776 -14.3453
19 C8y C 17.4777 -12.9453
20 C8x C 16.2905 -12.2598
21 C8x C 15.0781 -12.9598
22 N1b N 9.0140 -19.2610
23 C5a C 7.8088 -18.5653
24 C1b C 6.6265 -19.2481
25 O5a O 7.8084 -17.1504
26 C1b C 5.4325 -18.5588
27 N1y N 4.2446 -19.2448
28 C1x C 2.9888 -18.6857
29 C1x C 2.0689 -19.7073
30 C1x C 2.7563 -20.8978
31 C1x C 4.1009 -20.6120
32 N1c N 18.7047 -12.2368
33 C1a C 19.9117 -12.9336
34 C1a C 18.7045 -10.8501
35 N1b N 18.7124 -19.2500
36 C5a C 19.9249 -18.5500
37 C1b C 21.1373 -19.2500
38 C1b C 22.3497 -18.5500
39 N1y N 23.5622 -19.2500
40 O5a O 19.9249 -17.1502
41 C1x C 23.7088 -20.6450
42 C1x C 25.0808 -20.9366
43 C1x C 25.7821 -19.7219
44 C1x C 24.8436 -18.6795
BOND 49
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 4 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 5 14 1
17 6 15 1
18 15 16 1
19 16 17 2
20 17 18 1
21 18 19 2
22 19 20 1
23 20 21 2
24 16 21 1
25 9 22 1
26 22 23 1
27 23 24 1
28 23 25 2
29 24 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 27 31 1
36 19 32 1
37 32 33 1
38 32 34 1
39 12 35 1
40 35 36 1
41 36 37 1
42 37 38 1
43 38 39 1
44 36 40 2
45 39 41 1
46 41 42 1
47 42 43 1
48 43 44 1
49 39 44 1
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