| Entry |
|
|---|
| Name |
Aftobetin hydrochloride (USAN) |
|---|
| Formula |
C26H32N2O5. HCl
|
|---|
| Exact mass |
488.2078
|
|---|
| Mol weight |
489.0036
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Diagnostic |
|---|
| Comment |
Early detection of Alzheimer's disease
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 C1x C 8.3300 -17.8500
2 C1x C 8.3300 -19.2500
3 C1x C 9.5900 -19.9500
4 C1x C 10.7800 -19.2500
5 N1y N 10.7800 -17.8500
6 C1x C 9.5900 -17.1500
7 C8y C 12.0400 -17.1500
8 C8x C 13.2300 -17.8500
9 C8y C 14.4900 -17.1500
10 C8y C 14.4900 -15.6800
11 C8x C 13.2300 -14.9800
12 C8x C 12.0400 -15.6800
13 C8x C 15.6800 -17.8500
14 C8x C 16.9400 -17.1500
15 C8y C 16.9400 -15.6800
16 C8x C 15.6800 -14.9800
17 C2b C 18.1300 -15.0500
18 C2c C 19.3200 -15.7500
19 C7a C 20.5100 -15.0500
20 C3b C 19.3200 -17.1500
21 N3a N 19.3200 -18.5500
22 O7a O 21.7000 -15.7500
23 O6a O 20.5100 -13.5800
24 C1b C 22.8900 -15.0500
25 C1b C 24.0800 -15.7500
26 O2a O 25.2700 -15.0500
27 C1b C 26.5300 -15.7500
28 C1b C 27.7200 -15.0500
29 O2a O 28.9100 -15.7500
30 C1b C 30.1000 -15.0500
31 C1b C 31.2900 -15.7500
32 O2a O 32.4800 -15.0500
33 C1a C 33.6700 -15.7500
34 X Cl 25.2700 -18.9700
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 9 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 10 16 1
19 15 17 1
20 17 18 2
21 18 19 1
22 18 20 1
23 20 21 3
24 19 22 1
25 19 23 2
26 22 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 32 33 1
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|---|
