KEGG   COMPOUND: C11796Help
Entry
C11796                      Compound                               

Name
U50488;
trans-3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]-benzeneacetamide
Formula
C19H26Cl2N2O
Exact mass
368.1422
Mol weight
369.3285
Structure
Mol fileKCF fileDB search
Brite
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: peptide receptors
   Opioid
    kappa-opioid receptor
     C11796  U 50488
BRITE hierarchy
Other DBs
CAS: 67198-13-4
PubChem: 13960
ChEBI: 73358
ChEMBL: CHEMBL441765
NIKKAJI: J253.797D
KCF data Show

ATOM        24
            1   C1b C    27.4400  -19.9500
            2   C8y C    26.2500  -19.2500
            3   C8x C    25.0600  -19.9500
            4   C8x C    23.8000  -19.3200
            5   C8y C    23.8000  -17.9200
            6   C8y C    24.9900  -17.1500
            7   C8x C    26.2500  -17.8500
            8   X   Cl   24.9900  -15.7500
            9   X   Cl   22.5400  -17.2200
            10  C5a C    28.6300  -19.1800
            11  N1c N    29.8900  -19.8800
            12  O5a O    28.6300  -17.7800
            13  C1y C    31.0800  -19.1800
            14  C1a C    29.8900  -21.2800
            15  C1x C    31.0800  -17.7800
            16  C1x C    32.2700  -17.0800
            17  C1x C    33.4600  -17.7100
            18  C1x C    33.4600  -19.1100
            19  C1y C    32.2700  -19.8100
            20  N1y N    32.3400  -21.2100
            21  C1x C    33.4600  -22.0500
            22  C1x C    33.0400  -23.3800
            23  C1x C    31.6400  -23.3800
            24  C1x C    31.2200  -22.0500
BOND        26
            1    10  12 2
            2     4   5 2
            3    13  11 1 #Down
            4     5   6 1
            5    11  14 1
            6     6   7 2
            7     7   2 1
            8     1   2 1
            9     6   8 1
            10    5   9 1
            11   13  15 1
            12   15  16 1
            13   16  17 1
            14   17  18 1
            15   18  19 1
            16   19  13 1
            17   19  20 1 #Up
            18    1  10 1
            19    2   3 2
            20   10  11 1
            21    3   4 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  20 1

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