KEGG   DRUG: IncyclinideHelp
Entry
D04519                      Drug                                   

Name
Incyclinide (USAN);
Metastat (TN)
Formula
C19H17NO7
Exact mass
371.1005
Mol weight
371.3408
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Anti-acne, Antibacterial
Comment
Chemically modified tetracycline
Other DBs
CAS: 15866-90-7
PubChem: 47206366
ChEMBL: CHEMBL1991350 CHEMBL2104970
LigandBox: D04519
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8x C     9.7300  -16.5900
            2   C8x C     9.7300  -17.9900
            3   C8y C    10.9424  -18.6900
            4   C8y C    12.1549  -17.9900
            5   C8y C    12.1549  -16.5900
            6   C8x C    10.9424  -15.8900
            7   C5x C    13.3673  -18.6900
            8   C2y C    14.5797  -17.9900
            9   C1y C    14.5797  -16.5900
            10  C1x C    13.3673  -15.8900
            11  C2y C    15.7922  -18.6900
            12  C1z C    17.0046  -17.9900
            13  C1y C    17.0046  -16.5900
            14  C1x C    15.7922  -15.8900
            15  C5x C    18.2170  -18.6900
            16  C2y C    19.4295  -17.9900
            17  C2y C    19.4295  -16.5900
            18  C1x C    18.2170  -15.8900
            19  O1a O    10.9424  -20.0898
            20  O5x O    13.3673  -20.0900
            21  O1a O    15.7922  -20.0897
            22  O5x O    18.2170  -20.0899
            23  O1a O    20.6646  -15.8766
            24  C5a C    20.6646  -18.7034
            25  N1a N    21.8719  -18.0066
            26  O5a O    20.6642  -20.0899
            27  O1a O    17.0046  -19.3900
BOND        30
            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 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17   12  15 1
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   13  18 1
            22    3  19 1
            23    7  20 2
            24   11  21 1
            25   15  22 2
            26   17  23 1
            27   16  24 1
            28   24  25 1
            29   24  26 2
            30   12  27 1 #Down

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