975
  Mrv0541 02231215092D          

 36 39  0  0  0  0            999 V2000
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    9.2844    2.9244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0930   -0.3983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1079   -1.6644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    1.6642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8650   -0.4155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.4267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174    0.8678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.8108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5779    0.8592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.8108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3887   -2.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8176   -2.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    2.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    2.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -2.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8081   -2.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    2.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    2.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0888   -3.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    3.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174   -0.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -0.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8650    0.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2939    0.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5747    1.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5220   -0.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0068    0.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2876    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 25  1  0  0  0  0
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M  END
> <DATABASE_ID>
DB00975

> <DATABASE_NAME>
drugbank

> <SMILES>
OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1

> <INCHI_IDENTIFIER>
InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2

> <INCHI_KEY>
IZEKFCXSFNUWAM-UHFFFAOYSA-N

> <FORMULA>
C24H40N8O4

> <MOLECULAR_WEIGHT>
504.6256

> <EXACT_MASS>
504.317251808

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.009137813345862571

> <JCHEM_AVERAGE_POLARIZABILITY>
56.92635212313209

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)-[1,3]diazino[5,4-d]pyrimidin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol

> <ALOGPS_LOGP>
1.52

> <JCHEM_LOGP>
1.8063892579999996

> <ALOGPS_LOGS>
-2.74

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.397674874733832

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.971635373079284

> <JCHEM_PKA_STRONGEST_BASIC>
3.5410932251516574

> <JCHEM_POLAR_SURFACE_AREA>
145.44

> <JCHEM_REFRACTIVITY>
142.77939999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.22e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00975

> <SECONDARY_ACCESSION_NUMBERS>
APRD00360

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Dipyridamole

> <SYNONYMS>
Dipiridamol; Dipyridamine; Dipyridamole; Dipyridamolum; Dipyudamine; Dypyridamol

> <PRODUCTS>
Aggrenox; Apo-dipyridamole; Apo-dipyridamole-SC Tab 25mg; Apo-dipyridamole-SC Tab 50mg; Apo-dipyridamole-SC Tab 75mg; Asasantine Cap; Aspirin and Dipyridamole; Aspirin and Dipyridamole Extended Release; Aspirin and Extended - Release Dipyridamole Capsules, 25 mg / 200 mg; Aspirin and Extended-Release Dipyridamole; Aspirin and Extended-release Dipyridamole; Aspirin-dipyridamole; Asprin and Extended-release Dipyridamole; Dipyridamole; Dipyridamole 25 Tab 25mg; Dipyridamole 50 Tab 50mg; Dipyridamole 75 Tab; Dipyridamole Injection, USP; Dipyridamole for Injection; Dipyridamole-25; Dipyridamole-50; Dipyridamole-75; Novo-dipiradol Sct 100mg; Novo-dipiradol Tab 25mg; Novo-dipiradol Tab 50mg; Novo-dipiradol Tab 75mg; Persantine; Persantine Tab 100mg; Persantine Tab 25mg; Persantine Tab 50mg; Persantine Tab 75mg; Taro-dipyridamole/ Asa

> <INTERNATIONAL_BRANDS>
Agilease; Cardoxin; Cleridium 150; Curantyl; Persantin

$$$$