KEGG   COMPOUND: C14129Help
Entry
C14129                      Compound                               

Name
SSR 125543
Formula
C27H28ClFN2OS
Exact mass
482.1595
Mol weight
483.0404
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 752253-39-7
PubChem: 7846943
ChEBI: 34969
ChEMBL: CHEMBL291657
NIKKAJI: J2.788.046K
KCF data Show

ATOM        33
            1   C8y C    28.1060  -18.8235
            2   N1c N    29.5060  -18.8235
            3   S2x S    27.2815  -17.6801
            4   C8y C    25.9499  -18.1126
            5   C8y C    25.9501  -19.5126
            6   N5x N    27.2815  -19.9453
            7   C1a C    24.8172  -17.2900
            8   C8y C    24.8207  -20.3329
            9   C8x C    23.6064  -19.6495
            10  C8y C    22.4054  -20.3691
            11  C8y C    22.4280  -21.7689
            12  C8x C    23.6516  -22.4492
            13  C8y C    24.8525  -21.7298
            14  X   Cl   26.0783  -22.4060
            15  O2a O    21.2272  -22.4883
            16  C1a C    20.0036  -21.8081
            17  C1a C    21.1819  -19.6889
            18  C1c C    30.2060  -20.0359
            19  C1b C    30.2060  -17.6110
            20  C3b C    29.5060  -16.3988
            21  C3a C    28.7919  -15.1822
            22  C8y C    31.6059  -20.0325
            23  C1b C    29.5075  -21.2491
            24  C1y C    30.2089  -22.4607
            25  C1x C    30.2102  -23.8569
            26  C1x C    31.4240  -23.1512
            27  C8x C    32.3088  -21.2433
            28  C8x C    33.7088  -21.2399
            29  C8y C    34.4059  -20.0259
            30  C8y C    33.7030  -18.8152
            31  C8x C    32.3030  -18.8184
            32  X   F    34.4001  -17.6010
            33  C1a C    35.8058  -20.0225
BOND        36
            1    15  16 1
            2     5   8 1
            3    10  17 1
            4     1   3 1
            5     2  18 1
            6     3   4 1
            7     2  19 1
            8     4   5 2
            9    19  20 1
            10    5   6 1
            11   20  21 3
            12    6   1 2
            13   18  22 1
            14    8   9 2
            15   18  23 1 #Down
            16    9  10 1
            17   23  24 1
            18   10  11 2
            19   11  12 1
            20   24  25 1
            21   24  26 1
            22   26  25 1
            23   12  13 2
            24   13   8 1
            25   13  14 1
            26    4   7 1
            27   22  27 2
            28   27  28 1
            29   28  29 2
            30   29  30 1
            31   30  31 2
            32   31  22 1
            33   11  15 1
            34   30  32 1
            35    1   2 1
            36   29  33 1

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