Mrv1652305211705072D          

 30 36  0  0  0  0            999 V2000
    0.0090    0.2528    0.0000 Os  0  2  0  0  0  0  0  0  0  0  0  0
    0.7936    0.5077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    1.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9497    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346    0.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0990   -0.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2786   -0.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7936   -0.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9652   -1.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6765    1.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -2.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4961   -1.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6041   -1.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1816   -0.2787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0090   -0.5722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6221   -1.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4506   -1.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3340   -2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9471   -1.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7756   -0.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2605   -0.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0810   -0.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4166    0.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9316    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1112    1.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7756    0.5077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0090    1.0778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4215    2.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6584    1.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4035    2.3473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  0  0  0  0
 14  1  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  7  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 11  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  8 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 15  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26  1  1  0  0  0  0
 21 26  1  0  0  0  0
 27  1  1  0  0  0  0
 10 27  1  0  0  0  0
 28 10  2  0  0  0  0
 29 27  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  2  0  0  0  0
M  CHG  1   1   2
M  END
> <DATABASE_ID>
DB03492

> <DATABASE_NAME>
drugbank

> <SMILES>
C1=CN(C=N1)[Os++]123[N]4=CC=CC=C4C4=[N]1C=CC=C4.C1=CC(C4=CC=CC=[N]24)=[N]3C=C1

> <INCHI_IDENTIFIER>
InChI=1S/2C10H8N2.C3H3N2.Os/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-5-3-4-1;/h2*1-8H;1-3H;/q;;-1;+3

> <INCHI_KEY>
LHAHECCJWGXHOW-UHFFFAOYSA-N

> <FORMULA>
C23H19N6Os

> <MOLECULAR_WEIGHT>
569.68

> <EXACT_MASS>
571.1275

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
41.93996717549156

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
8-(1H-imidazol-1-yl)-7lambda4,7'lambda4,9lambda4,9'lambda4-tetraaza-8-osma-8,8'-spirobi[tricyclo[7.4.0.0^{2,7}]tridecane]-1(9),1'(9'),2,2',4,4',6,6',10,10',12,12'-dodecaene-8,8-bis(ylium)

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_POLAR_SURFACE_AREA>
94.66000000000001

> <JCHEM_REFRACTIVITY>
135.3757

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
8-(imidazol-1-yl)-7lambda4,7'lambda4,9lambda4,9'lambda4-tetraaza-8-osma-8,8'-spirobi[tricyclo[7.4.0.0^{2,7}]tridecane]-1(9),1'(9'),2,2',4,4',6,6',10,10',12,12'-dodecaene-8,8-bis(ylium)

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB03492

> <SECONDARY_ACCESSION_NUMBERS>
EXPT02053; EXPT01250; DB04550

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
lambda-bis(2,2'-bipyridine)imidazole osmium (II)

> <SYNONYMS>
delta-bis(2,2'-bipyridine)imidazole osmium (II)

$$$$