KEGG   COMPOUND: C15104Help
Entry
C15104                      Compound                               

Name
LY-202769;
2-[2-(5-Chloro-1H-indol-3-yl)ethyl]-3-[3-(1-methylethoxy)phenyl]-4(3H)-quinazolinone
Formula
C27H24ClN3O2
Exact mass
457.1557
Mol weight
457.9514
Structure
Mol fileKCF fileDB searchJmolKegDraw
Pathway
Benzodiazepine family
Other DBs
CAS: 
139543-40-1
PubChem: 
NIKKAJI: 
KCF data Show

ATOM        33
            1   C8x C     9.1000  -14.9800
            2   C8x C     9.1000  -16.3800
            3   C8x C    10.3124  -17.0800
            4   C8y C    11.5249  -16.3800
            5   C8y C    11.5249  -14.9800
            6   C8x C    10.3124  -14.2800
            7   C8y C    12.7373  -17.0800
            8   N4y N    13.9497  -16.3800
            9   C8y C    13.9497  -14.9800
            10  N5x N    12.7373  -14.2800
            11  O5x O    12.7373  -18.4800
            12  C8y C    15.1473  -17.0715
            13  C8x C    15.1473  -18.4797
            14  C8x C    16.3598  -19.1797
            15  C8x C    17.5722  -18.4797
            16  C8y C    17.5722  -17.0715
            17  C8x C    16.3597  -16.3715
            18  O2a O    18.7824  -16.3800
            19  C1c C    19.9949  -17.0800
            20  C1a C    21.2073  -16.3800
            21  C1a C    19.9949  -18.4798
            22  C1b C    15.1473  -14.2885
            23  C1b C    15.1200  -12.8800
            24  C8y C    16.3187  -12.1567
            25  C8x C    17.6092  -12.7015
            26  N4x N    18.5263  -11.6425
            27  C8y C    17.8024  -10.4431
            28  C8y C    16.4381  -10.7608
            29  C8x C    18.2092   -9.1035
            30  C8x C    17.2524   -8.0814
            31  C8y C    15.8880   -8.3992
            32  C8x C    15.4813   -9.7388
            33  X   Cl   14.9326   -7.3786
BOND        37
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    7  11 2
            13    8  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   16  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 1
            24    9  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   24  28 1
            32   27  29 2
            33   29  30 1
            34   30  31 2
            35   31  32 1
            36   28  32 2
            37   31  33 1

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