KEGG   DRUG: DeximafenHelp
Entry
D00974                      Drug                                   

Name
Deximafen (USAN/INN)
Formula
C11H13N3
Exact mass
187.1109
Mol weight
187.241
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antidepressant
Other DBs
CAS: 42116-77-8
PubChem: 7848037
ChEMBL: CHEMBL2104276
LigandBox: D00974
LinkDB All DBs
KCF data Show

ATOM        14
            1   C8x C    15.0225  -16.3605
            2   C8x C    15.0225  -17.7648
            3   C8x C    16.2864  -18.4669
            4   C8x C    17.4800  -17.7648
            5   C8y C    17.4800  -16.3605
            6   C8x C    16.2864  -15.6583
            7   C1y C    18.7439  -15.6583
            8   N1y N    20.0078  -16.0796
            9   C2y C    20.8504  -14.9562
            10  N2x N    20.0078  -13.8327
            11  C1x C    18.7439  -14.2540
            12  C1x C    20.8504  -17.2031
            13  C1x C    22.1845  -16.7818
            14  N1x N    22.1845  -15.3775
BOND        16
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    7  11 1
            13    8  12 1
            14   12  13 1
            15   13  14 1
            16   14   9 1

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