KEGG   DRUG: AdozelesinHelp
Entry
D02773                      Drug                                   

Name
Adozelesin (USAN/INN)
Formula
C30H22N4O4
Exact mass
502.1641
Mol weight
502.5201
Structure
Mol fileKCF fileDB search
Efficacy
Antineoplastic
Comment
Duocarmycin synthesized analog
Target
DNA
Other DBs
CAS: 110314-48-2
PubChem: 17396931
ChEMBL: CHEMBL154189
LigandBox: D02773
NIKKAJI: J459.788E
LinkDB All DBs
KCF data Show

ATOM        38
            1   C1x C    13.4400  -17.1500
            2   N1y N    13.4400  -18.5500
            3   C5a C    14.7000  -19.1800
            4   C8y C    15.8900  -18.4800
            5   O5a O    14.7000  -20.5800
            6   C8x C    16.3100  -17.1500
            7   N4x N    17.0100  -19.3200
            8   C8y C    17.7100  -17.1500
            9   C8y C    18.1300  -18.4800
            10  C8x C    18.6200  -16.1000
            11  C8x C    19.5300  -18.7600
            12  C8y C    20.0200  -16.3800
            13  C8x C    20.4400  -17.7100
            14  N1b N    20.8600  -15.3300
            15  C8y C    22.7500  -16.8700
            16  C5a C    22.2600  -15.6100
            17  C8x C    24.0800  -17.1500
            18  O5a O    23.1700  -14.5600
            19  O2x O    22.0500  -18.1300
            20  C8y C    23.0300  -19.1800
            21  C8y C    24.2900  -18.5500
            22  C1y C    12.1100  -16.7300
            23  C1z C    11.3400  -17.8500
            24  C2y C    12.1800  -18.9700
            25  C8y C     9.9400  -18.0600
            26  C8y C     9.3100  -19.3900
            27  C5x C    10.2200  -20.4400
            28  C2x C    11.6200  -20.3000
            29  O5x O     9.4500  -21.7000
            30  C1x C    10.8500  -16.6600
            31  C8y C     8.7500  -17.1500
            32  C8x C     7.5600  -17.8500
            33  N4x N     7.8400  -19.2500
            34  C1a C     8.7500  -15.7500
            35  C8x C    22.9461  -20.5775
            36  C8x C    24.1144  -21.3489
            37  C8x C    25.3744  -20.7189
            38  C8x C    25.4583  -19.3214
BOND        45
            1     2   3 1
            2     3   4 1
            3     3   5 2
            4     4   6 2
            5     4   7 1
            6     6   8 1
            7     7   9 1
            8     8  10 2
            9     9  11 2
            10   10  12 1
            11   11  13 1
            12   12  14 1
            13    1   2 1
            14    8   9 1
            15   12  13 2
            16   15  16 1
            17   16  14 1
            18   15  17 2
            19   16  18 2
            20   15  19 1
            21   19  20 1
            22   20  21 2
            23   17  21 1
            24    1  22 1
            25   22  23 1
            26   23  24 1
            27    2  24 1
            28   23  25 1
            29   25  26 2
            30   26  27 1
            31   27  28 1
            32   24  28 2
            33   27  29 2
            34   30  23 1
            35   30  22 1
            36   25  31 1
            37   31  32 2
            38   32  33 1
            39   26  33 1
            40   31  34 1
            41   20  35 1
            42   35  36 2
            43   36  37 1
            44   37  38 2
            45   21  38 1

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