KEGG   DRUG: Denibulin hydrochloride
Entry
D06579                      Drug                                   
Name
Denibulin hydrochloride (USAN)
Formula
C18H19N5O3S. HCl
Exact mass
421.0975
Mol weight
421.90
Structure
Efficacy
Antineoplastic
Comment
Vascular disrupting agents (VDAs)
Treatment of solid tumors
Other DBs
CAS: 779356-64-8
PubChem: 47208235
LigandBox: D06579
LinkDB
KCF data

ATOM        28
            1   C8x C    14.2100  -10.9200
            2   C8y C    14.2100  -12.3200
            3   C8x C    15.4224  -13.0200
            4   C8x C    16.6349  -12.3200
            5   C8y C    16.6349  -10.9200
            6   C8x C    15.4224  -10.2200
            7   C8x C    19.0597  -12.3200
            8   C8y C    19.0597  -10.9200
            9   S2a S    17.8473  -10.2200
            10  C8x C    20.2722  -13.0200
            11  C8y C    21.4846  -12.3200
            12  C8y C    21.4846  -10.9200
            13  C8x C    20.2722  -10.2200
            14  N5x N    22.8161  -12.7526
            15  C8y C    23.6390  -11.6200
            16  N4x N    22.8161  -10.4874
            17  N1b N    25.0600  -11.6200
            18  C7a C    25.7600  -12.8324
            19  O7a O    27.1598  -12.8324
            20  O6a O    25.0696  -14.0279
            21  C1a C    27.8503  -14.0280
            22  N1b N    12.9976  -13.0200
            23  C5a C    11.8021  -12.3296
            24  C1c C    10.6147  -13.0151
            25  O5a O    11.8020  -10.9203
            26  C1a C     9.4235  -12.3271
            27  N1a N    10.6145  -14.4198
            28  X   Cl   25.3400  -16.2400
BOND        29
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15   11  14 1
            16   14  15 2
            17   15  16 1
            18   12  16 1
            19   15  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 2
            23   19  21 1
            24    2  22 1
            25   22  23 1
            26   23  24 1
            27   23  25 2
            28   24  26 1
            29   24  27 1 #Up

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