53299527
  -OEChem-04252408482D

 38 41  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5724    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1406    3.5724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7157   -0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.3772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    0.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    1.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2086    0.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7157   -2.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    2.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408    1.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6668   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6668   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514    2.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4019   -0.1092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375    0.6707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1044    2.0055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0160    0.1316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5241   -2.9711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341    1.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1683   -2.4369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1683   -0.7080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374    2.8772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  2  0  0  0  0
 11 27  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  2  0  0  0  0
 18 33  1  0  0  0  0
 19 22  1  0  0  0  0
 19 34  1  0  0  0  0
 20 24  2  0  0  0  0
 21 24  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53299527

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
440

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAEEAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAFgB/AAAHgJAAAABrA7hnyY/tJ8MHECoA7535ASCiC03NaQJ2CG+XviObvrFv7uXOajuwBPY6/eY2fOeAAAAIAAAAAAAAABAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-bromo-3-[(3-chlorophenyl)methyl]-2-(2-furyl)-8-methyl-imidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_CAS_NAME>
6-bromo-3-[(3-chlorophenyl)methyl]-2-(2-furanyl)-8-methylimidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-bromo-3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)-8-methylimidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_NAME>
6-bromo-3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)-8-methylimidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-bromanyl-3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)-8-methyl-imidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-bromo-3-(3-chlorobenzyl)-2-(2-furyl)-8-methyl-imidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H14BrClN2O/c1-12-8-14(20)11-23-16(10-13-4-2-5-15(21)9-13)18(22-19(12)23)17-6-3-7-24-17/h2-9,11H,10H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
JESMIUAIFXBPCA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.2

> <PUBCHEM_EXACT_MASS>
399.99780

> <PUBCHEM_MOLECULAR_FORMULA>
C19H14BrClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
401.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=CN2C1=NC(=C2CC3=CC(=CC=C3)Cl)C4=CC=CO4)Br

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=CN2C1=NC(=C2CC3=CC(=CC=C3)Cl)C4=CC=CO4)Br

> <PUBCHEM_CACTVS_TPSA>
30.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
399.99780

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  17  8
12  18  8
13  19  8
14  15  8
17  20  8
18  21  8
19  22  8
20  24  8
21  24  8
22  23  8
3  13  8
3  23  8
4  11  8
4  6  8
4  8  8
5  8  8
5  9  8
6  9  8
8  10  8

$$$$