49795202
  -OEChem-05072412432D

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    2.0000    4.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    4.3268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3459   -4.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0817    0.4408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933    0.6985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3014   -0.5870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
49795202

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
654

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAFgB0AAAHgIQAAAADE7BmiQ+xJLIFACoAjV3VAKCiCAxJyAI2KF8bpgOJnLFs5+POCjk1hHY6Ae43fKOiAAAIAAAAAAQAABAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(4-acetamidophenyl)-<I>N</I>-[(3-chlorophenyl)methyl]-2-methyl-3<I>H</I>-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
4-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(4-acetamidophenyl)-N-(3-chlorobenzyl)-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H22ClN3O3/c1-15(29)28-19-8-6-17(7-9-19)20-10-11-26-22-21(20)13-24(2,31-22)23(30)27-14-16-4-3-5-18(25)12-16/h3-12H,13-14H2,1-2H3,(H,27,30)(H,28,29)

> <PUBCHEM_IUPAC_INCHIKEY>
ABAGOVRJSHUYEY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
435.1349693

> <PUBCHEM_MOLECULAR_FORMULA>
C24H22ClN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
435.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1=CC=C(C=C1)C2=C3CC(OC3=NC=C2)(C)C(=O)NCC4=CC(=CC=C4)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1=CC=C(C=C1)C2=C3CC(OC3=NC=C2)(C)C(=O)NCC4=CC(=CC=C4)Cl

> <PUBCHEM_CACTVS_TPSA>
80.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
435.1349693

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  11  8
10  14  8
14  16  8
15  19  8
15  20  8
16  17  8
19  22  8
20  23  8
21  25  8
21  26  8
22  24  8
23  24  8
25  27  8
26  28  8
27  29  8
28  29  8
6  11  8
6  17  8
8  12  3

$$$$