Mrv2304 05102319092D          

 14 15  0  0  0  0            999 V2000
    2.8159   -2.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015   -1.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3870   -2.4082    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6725   -1.9957    0.0000 Bi  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0811   -2.3313    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6332   -1.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -1.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5863   -1.1752    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5304   -1.9957    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2449   -2.4082    0.0000 Bi  0  0  0  0  0  0  0  0  0  0  0  0
    4.9986   -2.0727    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5506   -2.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1381   -3.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3311   -3.2287    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
> <DATABASE_ID>
DB17784

> <DATABASE_NAME>
drugbank

> <SMILES>
C(CS[Bi]1SCCS1)S[Bi]1SCCS1

> <INCHI_IDENTIFIER>
InChI=1S/3C2H6S2.2Bi/c3*3-1-2-4;;/h3*3-4H,1-2H2;;/q;;;2*+3/p-6

> <INCHI_KEY>
GUTNLKRPYCTIHX-UHFFFAOYSA-H

> <FORMULA>
C6H12Bi2S6

> <MOLECULAR_WEIGHT>
694.48

> <EXACT_MASS>
693.88713

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
33.5187181446462

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[2-(1,3-dithia-2-bismacyclopentan-2-ylsulfanyl)ethyl]sulfanyl}-1,3-dithia-2-bismacyclopentane

> <JCHEM_LOGP>
2.2013999999999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
76.03020000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-{[2-(1,3-dithia-2-bismacyclopentan-2-ylsulfanyl)ethyl]sulfanyl}-1,3-dithia-2-bismacyclopentane

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB17784

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Pravibismane

> <SYNONYMS>
1,2-(bis(1,3-dithia-2-bismolane)thio)ethane; 1,2-bis((1,3-dithia-2-bismolan-2-yl)thio)ethane; 1,2-bis((1,3-dithia-2-bismolane-2-yl)thio)ethane; 1,3,2-dithiabismolane, 2,2'-(1,2-ethanediylbis(thio))bis; 2,2'-(1,2-ethanediylbis(thio))bis(1,3,2-dithiabismolane); 2,2'-(ethane-1,2-diylbis(sulfanediyl))bis(1,3,2-dithiabismolane); BisEDT

$$$$