Mrv2304 07142321392D          

 22 23  0  0  0  0            999 V2000
   -3.7418    0.0491    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1694   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5984   -1.4437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3128   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3128   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0273    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0273    1.0312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7418   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7418   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0273   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5984    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5984    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1694    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2594    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2594    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9739    1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449    1.4437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1694    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839    1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  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
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT003275

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.CC1=NC2=C(C(N)=CC=C2)C(=O)N1C1CCC(=O)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H14N4O3.ClH/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20;/h2-4,10H,5-6,15H2,1H3,(H,17,19,20);1H

> <INCHI_KEY>
BVJRNKXVSYLNFD-UHFFFAOYSA-N

> <FORMULA>
C14H15ClN4O3

> <MOLECULAR_WEIGHT>
322.75

> <EXACT_MASS>
322.0832681

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.8533960226367165

> <JCHEM_AVERAGE_POLARIZABILITY>
28.189829182411575

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-(5-amino-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)piperidine-2,6-dione hydrochloride

> <JCHEM_LOGP>
-0.08320113499999993

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.812535602896574

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.607638570112163

> <JCHEM_PKA_STRONGEST_BASIC>
5.3924791318608145

> <JCHEM_POLAR_SURFACE_AREA>
104.85999999999999

> <JCHEM_REFRACTIVITY>
77.1003

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione hydrochloride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT003275

> <NAME>
Avadomide hydrochloride

> <DRUG_DRUGBANK_ID>
DB14857

> <DRUG_NAME>
Avadomide

> <CAS_NUMBER>
1398053-45-6

> <UNII>
6CX4AEX3KR

$$$$