Mrv1718011281811322D          

 28 30  0  0  0  0            999 V2000
   -4.2315    1.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0565    1.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3115    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6440    0.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9766    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2622    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5477    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8332    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1187    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4043    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3101    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0246    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4536    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7391    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0246   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7391   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4536   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1680   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8825   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8825    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1680    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5970    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5970   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2622   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7391   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3115    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3115   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3101    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  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
  8  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
 14 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 13 21  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  0  0  0  0
  6 24  2  0  0  0  0
 16 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 11 28  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00346

> <DATABASE_NAME>
drugbank

> <SMILES>
COC1=CC2=C(C=C1OC)C(N)=NC(=N2)N(C)CCCNC(=O)C1CCCO1

> <INCHI_IDENTIFIER>
InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)

> <INCHI_KEY>
WNMJYKCGWZFFKR-UHFFFAOYSA-N

> <FORMULA>
C19H27N5O4

> <MOLECULAR_WEIGHT>
389.4488

> <EXACT_MASS>
389.206304377

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
42.7088392005799

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-{3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)(methyl)amino]propyl}oxolane-2-carboxamide

> <ALOGPS_LOGP>
2.02

> <JCHEM_LOGP>
1.1875362089999997

> <ALOGPS_LOGS>
-3.14

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.63969532465731

> <JCHEM_PKA_STRONGEST_BASIC>
7.303379443951849

> <JCHEM_POLAR_SURFACE_AREA>
111.83000000000001

> <JCHEM_REFRACTIVITY>
107.11410000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.82e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
alfuzosin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00346

> <SECONDARY_ACCESSION_NUMBERS>
APRD00490

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Alfuzosin

> <SYNONYMS>
(±)-N-[3-[(4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-2-furamide; Alfuzosin; Alfuzosina; Alfuzosine; Alfuzosinum; N-[3-[(4-amino-6,7-dimethoxy-quinazolin-2-yl)- methyl-amino]propyl] tetrahydrofuran- 2-carboxamide

> <PRODUCTS>
Alfuzosin; Alfuzosin Hydrochloride; Alfuzosin Hydrochloride ER; Alfuzosin Hydrochloride extended release; Alfuzosin hydrochloride; Apo-alfuzosin; Auro-alfuzosin; Sandoz Alfuzosin; Teva-alfuzosin Pr; Uroxatral; Xatral

> <INTERNATIONAL_BRANDS>
Alcinin; Alfasin XR; Alfetim; Alfoo; Alfu; Alfuran; Alfusozina; Flotral; Fual; Profuzo; Rantral; Uriten; Xantral; Xelflo; Zatral

> <SALTS>
Alfuzosin hydrochloride

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