KEGG   COMPOUND: C11710Help
Entry
C11710                      Compound                               

Name
Devazepide;
MK-329
Formula
C25H20N4O2
Exact mass
408.1586
Mol weight
408.4519
Structure
Mol fileKCF fileDB search
Remark
Same as: D02693
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cholecystokinin
    CCKAR
     D02693  Devazepide (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 103420-77-5
PubChem: 13875
ChEBI: 4460
ChEMBL: CHEMBL9506
NIKKAJI: J273.248C
KCF data Show

ATOM        31
            1   C2y C    24.7801  -15.3443
            2   C8y C    23.9377  -14.2343
            3   C8y C    24.2730  -12.8770
            4   N1y N    25.5344  -12.2988
            5   N2x N    26.1863  -15.2995
            6   C5x C    26.7884  -12.9213
            7   C1y C    27.0750  -14.2904
            8   C8x C    23.2656  -11.9083
            9   C8x C    21.9231  -12.2966
            10  C8x C    21.5878  -13.6538
            11  C8x C    22.5953  -14.6222
            12  C8y C    24.1454  -16.5944
            13  C8x C    22.7433  -16.5944
            14  C1a C    25.5561  -10.9234
            15  C8x C    22.0431  -17.8073
            16  C8x C    22.7433  -19.0201
            17  C8x C    24.1454  -19.0201
            18  C8x C    24.8456  -17.8073
            19  N1b N    28.2879  -14.9906
            20  C5a C    29.5007  -14.2904
            21  O5x O    27.8980  -12.0633
            22  C8y C    30.6940  -14.9795
            23  O5a O    29.5009  -12.8843
            24  N4x N    30.6749  -16.3870
            25  C8y C    32.0006  -16.8383
            26  C8y C    32.8396  -15.7170
            27  C8x C    32.0323  -14.5726
            28  C8x C    34.2401  -15.7170
            29  C8x C    34.9266  -16.9055
            30  C8x C    34.2428  -18.0900
            31  C8x C    32.8395  -18.0901
BOND        35
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    1  12 1
            14   12  13 1
            15    4  14 1
            16   13  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   12  18 2
            21    7  19 1 #Up
            22   19  20 1
            23    6  21 2
            24   20  22 1
            25   20  23 2
            26   22  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 2
            31   26  28 2
            32   28  29 1
            33   29  30 2
            34   30  31 1
            35   31  25 2

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