KEGG   DRUG: Filanesib
Entry
D11754                      Drug                                   
Name
Filanesib (USAN/INN)
Formula
C20H22F2N4O2S
Exact mass
420.1432
Mol weight
420.48
Structure
Remark
Chemical structure group: DG03097
Efficacy
Antineoplastic, Kinesin spindle protein inhibitor
Other DBs
CAS: 885060-09-3
PubChem: 405226620
PDB-CCD: GCE[PDBj]
LinkDB
KCF data

ATOM        29
            1   C2y C    11.7600  -15.4700
            2   S2x S    12.1800  -16.8000
            3   C1z C    13.5800  -16.8000
            4   N1y N    14.0000  -15.4700
            5   N2x N    12.8800  -14.6300
            6   C1b C    14.7700  -17.5000
            7   C1b C    15.9600  -16.8000
            8   C1b C    17.1500  -17.5000
            9   N1a N    18.3400  -16.8000
            10  C8y C    13.2300  -18.1300
            11  C8x C    11.9000  -18.4800
            12  C8x C    11.4800  -19.8800
            13  C8x C    12.5300  -20.8600
            14  C8x C    13.8600  -20.5100
            15  C8x C    14.2100  -19.1100
            16  C8y C    10.4300  -15.0500
            17  C8x C    10.1500  -13.6500
            18  C8y C     8.8200  -13.2300
            19  C8x C     7.7700  -14.2100
            20  C8x C     8.0500  -15.5400
            21  C8y C     9.3800  -15.9600
            22  X   F     8.4700  -11.9000
            23  X   F     9.6600  -17.3600
            24  C5a C    15.1900  -14.7700
            25  O5a O    16.3800  -15.4700
            26  N1c N    15.1900  -13.3700
            27  O2a O    16.3800  -12.6700
            28  C1a C    14.0000  -12.6700
            29  C1a C    17.5700  -13.3700
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     3   6 1 #Up
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    3  10 1 #Down
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17    1  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24   18  22 1
            25   21  23 1
            26   24  25 2
            27   24   4 1
            28   24  26 1
            29   26  27 1
            30   26  28 1
            31   27  29 1

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