Mrv1909 12012118532D          

 43 47  0  0  0  0            999 V2000
    3.7026    3.7804    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8631   -2.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -1.9498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8631   -3.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4156   -2.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -3.3110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5643   -3.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2656   -2.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5643   -0.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2406   -2.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2656   -3.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8323   -0.5289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6531   -3.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782   -3.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7786    1.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    1.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931    2.5309    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    1.2658    1.3687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813    2.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7124    1.9221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7309    3.4348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2754   -0.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2686    0.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9698    0.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7418    0.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2075    1.1189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7238    1.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9592    1.5053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0079   -0.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9723    2.5683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4930    1.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7786    0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4930    0.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2075    0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2075    1.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640    0.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3495    0.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351    0.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351   -0.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3495   -1.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640   -0.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -1.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5643   -1.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 43  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
 43  8  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  6  2  0  0  0  0
  8 11  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 27 30  2  0  0  0  0
  3 42  1  0  0  0  0
 31 15  2  0  0  0  0
 15 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 31 35  1  0  0  0  0
 32 36  1  0  0  0  0
 41 36  2  0  0  0  0
 37 36  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 39 42  1  0  0  0  0
  9 43  1  0  0  0  0
M  CHG  2   1   1  17  -1
M  END
> <DATABASE_ID>
DBSALT003212

> <DATABASE_NAME>
drugbank

> <SMILES>
[K+].CCOC1=NC2=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NOC(=O)[N-]1)C(=CC=C2)C(=O)OCC1=C(C)OC(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C30H24N4O8.K/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26;/h4-14H,3,15-16H2,1-2H3,(H,32,33,36);/q;+1/p-1

> <INCHI_KEY>
IHWFKDWIUSZLCJ-UHFFFAOYSA-M

> <FORMULA>
C30H23KN4O8

> <MOLECULAR_WEIGHT>
606.632

> <EXACT_MASS>
606.11529521

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.924813456008661

> <JCHEM_AVERAGE_POLARIZABILITY>
57.215822651496865

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium 3-{4'-[(2-ethoxy-7-{[(5-methyl-2-oxo-2H-1,3-dioxol-4-yl)methoxy]carbonyl}-1H-1,3-benzodiazol-1-yl)methyl]-[1,1'-biphenyl]-2-yl}-5-oxo-4,5-dihydro-1,2,4-oxadiazol-4-ide

> <ALOGPS_LOGP>
4.56

> <JCHEM_LOGP>
6.0344982279999995

> <ALOGPS_LOGS>
-4.79

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.910083320813136

> <JCHEM_PKA_STRONGEST_BASIC>
1.4754854407819347

> <JCHEM_POLAR_SURFACE_AREA>
136.77000000000004

> <JCHEM_REFRACTIVITY>
148.71829999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.78e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
azilsartan medoxomil

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT003212

> <NAME>
Azilsartan medoxomil potassium

> <DRUG_DRUGBANK_ID>
DB08822

> <DRUG_NAME>
Azilsartan medoxomil

> <CAS_NUMBER>
863031-24-7

> <UNII>
WEC6I2K1FC

$$$$