Mrv0541 05041407442D          

 15 14  0  0  0  0            999 V2000
    0.5401    1.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401   -1.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3502    1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3502   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3502    0.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0802    0.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0802   -0.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3502   -0.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8101    1.2473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203    0.7796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6203   -0.7796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101   -1.2473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417    0.0000    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
> <DATABASE_ID>
DB03189

> <DATABASE_NAME>
drugbank

> <SMILES>
[Cu].C1CNCCNCCCNCCNC1

> <INCHI_IDENTIFIER>
InChI=1S/C10H24N4.Cu/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;/h11-14H,1-10H2;

> <INCHI_KEY>
LXENXYBNGDTDRA-UHFFFAOYSA-N

> <FORMULA>
C10H24CuN4

> <MOLECULAR_WEIGHT>
263.87

> <EXACT_MASS>
263.129697867

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
2.0590911834888574

> <JCHEM_AVERAGE_POLARIZABILITY>
24.114674297940102

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,4,8,11-tetraazacyclotetradecane copper

> <ALOGPS_LOGP>
-0.66

> <JCHEM_LOGP>
-1.337694182

> <ALOGPS_LOGS>
-2.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
2

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_BASIC>
9.995497589777713

> <JCHEM_POLAR_SURFACE_AREA>
48.12

> <JCHEM_REFRACTIVITY>
60.6284

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.94e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB03189

> <SECONDARY_ACCESSION_NUMBERS>
EXPT02191

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Cu-Cyclam

$$$$