Mrv1652305211704212D          

 30 36  0  0  0  0            999 V2000
   -0.0000   -0.2040    0.0000 Ru  0  2  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.4589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1202   -1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9407   -1.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256   -0.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900    0.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9561    1.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2452    2.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5051    1.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6131    1.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1906    0.3275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.6210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6131    1.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4416    1.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3431    2.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9561    1.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695    0.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0900    0.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4256   -0.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9407   -1.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1202   -1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846   -0.4589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674   -1.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -1.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.2985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 27 30  1  0  0  0  0
 27 26  2  0  0  0  0
 29 30  2  0  0  0  0
 26 28  1  0  0  0  0
 29 28  1  0  0  0  0
 23 24  2  0  0  0  0
 22 23  1  0  0  0  0
 28  1  1  0  0  0  0
 24 25  1  0  0  0  0
 21 22  2  0  0  0  0
 25  1  1  0  0  0  0
 20 25  2  0  0  0  0
  2  1  1  0  0  0  0
 13  1  1  0  0  0  0
 14  1  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
 20 21  1  0  0  0  0
 19 20  1  0  0  0  0
  7  2  1  0  0  0  0
  4  5  2  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  7  8  1  0  0  0  0
  6  7  2  0  0  0  0
 11 12  1  0  0  0  0
  5  6  1  0  0  0  0
 19 14  2  0  0  0  0
 18 19  1  0  0  0  0
 15 14  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 10  9  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  1   1   2
M  END
> <DATABASE_ID>
DB03871

> <DATABASE_NAME>
drugbank

> <SMILES>
C1=CN(C=N1)[Ru++]123[N]4=CC=CC=C4C4=CC=CC=[N]14.C1=CC(C4=[N]2C=CC=C4)=[N]3C=C1

> <INCHI_IDENTIFIER>
InChI=1S/2C10H8N2.C3H3N2.Ru/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>
ZSRBWSVKDUMHBO-UHFFFAOYSA-N

> <FORMULA>
C23H19N6Ru

> <MOLECULAR_WEIGHT>
480.52

> <EXACT_MASS>
481.070366

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
42.3597841680023

> <JCHEM_BIOAVAILABILITY>
1

> <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-ruthena-8,8'-spirobi[tricyclo[7.4.0.0^{2,7}]tridecane]-1(9),1'(13'),2(7),2',3,4',5,6',9',10,11',12-dodecaene-8,8-bis(ylium)

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <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-ruthena-8,8'-spirobi[tricyclo[7.4.0.0^{2,7}]tridecane]-1(9),1'(13'),2(7),2',3,4',5,6',9',10,11',12-dodecaene-8,8-bis(ylium)

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB03871

> <SECONDARY_ACCESSION_NUMBERS>
EXPT01271; EXPT02061; DB02003

> <DRUG_GROUPS>
experimental

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

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

$$$$