Mrv1909 04062315352D          

 15 10  0  0  0  0            999 V2000
    1.9393   -0.6482    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    7.3973   -0.6482    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.2982    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   -1.6331   -0.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9186    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9186    1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248   -0.2357    0.0000 Ge  0  1  0  0  0  0  0  0  0  0  0  0
    3.8250   -0.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5395    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5395    1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2539   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9684    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6829   -0.2357    0.0000 Ge  0  1  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  5   1  -2   2  -2   3  -2   9   3  15   3
M  END
> <DATABASE_ID>
DB17608

> <DATABASE_NAME>
drugbank

> <SMILES>
[O--].[O--].[O--].OC(=O)CC[Ge+3].OC(=O)CC[Ge+3]

> <INCHI_IDENTIFIER>
InChI=1S/2C3H5GeO2.3O/c2*4-2-1-3(5)6;;;/h2*1-2H2,(H,5,6);;;/q2*+3;3*-2

> <INCHI_KEY>
ZBANESJQZVORBE-UHFFFAOYSA-N

> <FORMULA>
C6H10Ge2O7

> <MOLECULAR_WEIGHT>
339.399

> <EXACT_MASS>
341.88500818

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
2.000269200806973

> <JCHEM_AVERAGE_POLARIZABILITY>
9.081232197859954

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis((2-carboxyethyl)germanetris(ylium)) trioxidandiide

> <JCHEM_LOGP>
-0.14139999999999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.4301932855866215

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
16.3823

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB17608

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Propagermanium

> <SYNONYMS>
3-[[2-carboxyethyl(oxo)germyl]oxy-oxogermyl]propanoic acid; Arlamol geo; beta-carboxyethylgermanium sesquioxide; Bis (2-carboxyethylgermanium)sesquioxide; Bis(carboxyethyl)germanium sesquioxide; Carboxyethylgermanium sesquioxide; Organic germanium; Propagermanium; Propanoic acid, 3,3'-(1,3-dioxo-1,3-digermoxanediyl)bis-; Proxigermanium; Rapagermanium; Repagermanium; Serocion; SK 818; SK-818

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