KEGG   DRUG: Sabeluzole
Entry
D05780                      Drug                                   
Name
Sabeluzole (USAN/INN)
Formula
C22H26FN3O2S
Exact mass
415.1730
Mol weight
415.53
Structure
Simcomp
Efficacy
Anticonvulsant, Antihypoxic
Other DBs
CAS: 104383-17-7
PubChem: 47207441
ChEBI: 177731
LigandBox: D05780
KCF data

ATOM        29
            1   C8y C    19.2492  -16.3093
            2   N1c N    20.5092  -15.6093
            3   C1y C    21.6991  -16.3093
            4   C1x C    21.6991  -17.7092
            5   C1x C    22.8891  -15.6093
            6   C1x C    22.8891  -18.4092
            7   C1x C    24.0791  -16.3093
            8   N1y N    24.0791  -17.7092
            9   C1b C    25.2690  -18.4792
            10  C1c C    26.5290  -17.7792
            11  C1b C    27.7189  -18.4792
            12  O2a O    28.9089  -17.7792
            13  C8y C    30.1688  -18.4792
            14  C8x C    30.1688  -19.8791
            15  C8x C    31.3588  -17.7792
            16  C8x C    31.3588  -20.5791
            17  C8x C    32.5488  -18.5492
            18  C8y C    32.5488  -19.9491
            19  X   F    33.8087  -20.6491
            20  O1a O    26.5463  -16.3801
            21  C1a C    20.5265  -14.2101
            22  S2x S    17.9807  -15.7193
            23  C8y C    17.0276  -16.7434
            24  C8y C    17.7070  -17.9663
            25  N5x N    19.0800  -17.6981
            26  C8x C    15.6278  -16.7203
            27  C8x C    14.9079  -17.9210
            28  C8x C    15.5873  -19.1439
            29  C8x C    16.9871  -19.1670
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 2
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18   18  19 1
            19    7   8 1
            20   17  18 1
            21   10  20 1
            22    2  21 1
            23    1  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27    1  25 2
            28   23  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   24  29 2

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