55719406
  -OEChem-04192419142D

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    2.3090   -4.3049    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6180   -3.3539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6750   -1.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4071    2.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4071    4.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    5.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8320   -4.4973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5158   -6.6019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0041    4.5439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2715    7.7744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
55719406

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
643

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uABAAAAAAAAAAAAAAAAAAWLEgAAwAAAAAAAAAAAB8AAAHgQQAAAADAzl3gax1ZPIFEisA61y9AKC+KllKjgJiJX+bMiOZjrk/b+XOSjs1xPY6aeYlwIOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-[[[2-[2-(2-oxoimidazolidin-1-yl)thiazol-4-yl]acetyl]amino]methyl]phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[[[1-oxo-2-[2-(2-oxo-1-imidazolidinyl)-4-thiazolyl]ethyl]amino]methyl]phenyl]-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-[[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[4-[[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-[[2-[2-(2-oxidanylideneimidazolidin-1-yl)-1,3-thiazol-4-yl]ethanoylamino]methyl]phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-[[[2-[2-(2-ketoimidazolidin-1-yl)thiazol-4-yl]acetyl]amino]methyl]phenyl]-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H19N5O4S/c26-17(10-15-12-30-20(24-15)25-8-7-21-19(25)28)22-11-13-3-5-14(6-4-13)23-18(27)16-2-1-9-29-16/h1-6,9,12H,7-8,10-11H2,(H,21,28)(H,22,26)(H,23,27)

> <PUBCHEM_IUPAC_INCHIKEY>
RUMZLTBMQBQCKU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
425.11577528

> <PUBCHEM_MOLECULAR_FORMULA>
C20H19N5O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
425.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(C(=O)N1)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)NC(=O)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(C(=O)N1)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)NC(=O)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
145

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
425.11577528

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
1  14  8
1  17  8
15  17  8
19  21  8
19  22  8
21  24  8
22  25  8
23  24  8
23  25  8
27  28  8
28  29  8
29  30  8
4  27  8
4  30  8
8  14  8
8  15  8

$$$$