KEGG   COMPOUND: C15477Help
Entry
C15477                      Compound                               

Name
CGP 28014
Formula
C12H19N3O
Exact mass
221.1528
Mol weight
221.2988
Structure
Mol fileKCF fileDB search
Pathway
map07216  Catecholamine transferase inhibitors
Brite
Target-based classification of compounds [BR:br08010]
 Enzymes
  Transferases
   catechol O-methyltransferase
    C15477  CGP 28014
BRITE hierarchy
Other DBs
CAS: 111757-17-6
PubChem: 17396471
ChEBI: 79969
NIKKAJI: J458.729D
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    24.8992  -20.1410
            2   C8x C    24.8992  -21.5396
            3   C8x C    26.1104  -22.2389
            4   C8x C    27.3217  -21.5396
            5   C8y C    27.3217  -20.1410
            6   N4x N    26.1104  -19.4417
            7   O5x O    28.5515  -19.4307
            8   N2b N    23.6881  -19.4417
            9   C2b C    22.4768  -20.1410
            10  N1c N    21.2656  -19.4417
            11  C1b C    20.0545  -20.1410
            12  C1b C    18.8432  -19.4417
            13  C1a C    17.6320  -20.1410
            14  C1b C    21.2656  -18.0431
            15  C1b C    20.0524  -17.3427
            16  C1a C    20.0524  -15.9455
BOND        16
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 2
            8     1   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   10  14 1
            15   14  15 1
            16   15  16 1

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