KEGG   DRUG: OmaciclovirHelp
Entry
D05250                      Drug                                   

Name
Omaciclovir (USAN/INN)
Formula
C10H15N5O3
Exact mass
253.1175
Mol weight
253.2578
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Activity
Antiviral, DNA polymerase inhibitor
Comment
Acyclovir type
Treatment of herpes zoster
Target
DNA polymerase
Other DBs
CAS: 
124265-89-0
PubChem: 
ChEMBL: 
LigandBox: 
KCF data Show

ATOM        18
            1   N5x N    22.3059  -14.5378
            2   C8y C    22.3059  -15.9457
            3   N4x N    21.1092  -16.6496
            4   C8y C    19.8421  -15.9457
            5   C8y C    19.8421  -14.5378
            6   C8y C    21.1092  -13.8339
            7   O5x O    21.1092  -12.4260
            8   N1a N    23.5025  -16.6496
            9   N4y N    18.5047  -16.3680
            10  C8x C    17.7303  -15.2418
            11  N5x N    18.5047  -14.1155
            12  C1b C    18.5047  -17.7759
            13  C1c C    17.2855  -18.4798
            14  C1b C    16.0832  -17.7856
            15  C1b C    17.2854  -19.8875
            16  C1b C    14.8892  -18.4749
            17  O1a O    13.6913  -17.7830
            18  O1a O    16.0796  -20.5835
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     2   8 1
            9     4   9 1
            10    9  10 1
            11   10  11 2
            12    5  11 1
            13    9  12 1
            14   12  13 1
            15   13  14 1
            16   13  15 1 #Down
            17   14  16 1
            18   16  17 1
            19   15  18 1

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