25006676
  -OEChem-04262405312D

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    6.0809    5.2249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3548    1.8378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6956    3.3218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7291    5.7573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6344   -4.0328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665    3.2786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  9 28  2  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
25006676

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
660

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAEAAAAAAAAAAAAAAAAAWLAAAA8SIAAAAAAAFgB/AAAHgIUAAAADQrhnyY90PdcFACpAzd3dgCCgCkxBaAp2CC4RpiKaOLB27HWIAhklQLYyAewgMAOgAAAIAACABAAAABAAAQAIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[4-[[3-[7-chloro-1-(tetrahydropyran-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-[[3-[7-chloro-1-(4-oxanylmethyl)-3-indolyl]-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-[4-[[3-[7-chloro-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[4-[[3-[7-chloranyl-1-(oxan-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[4-[[3-[7-chloro-1-(tetrahydropyran-4-ylmethyl)indol-3-yl]-1,2,4-oxadiazol-5-yl]methyl]piperazino]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H29ClN6O3/c24-19-3-1-2-17-18(13-30(22(17)19)12-16-4-10-32-11-5-16)23-26-21(33-27-23)15-29-8-6-28(7-9-29)14-20(25)31/h1-3,13,16H,4-12,14-15H2,(H2,25,31)

> <PUBCHEM_IUPAC_INCHIKEY>
AKWUNZFZIXEOPV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
472.1989665

> <PUBCHEM_MOLECULAR_FORMULA>
C23H29ClN6O3

> <PUBCHEM_MOLECULAR_WEIGHT>
473.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCC1CN2C=C(C3=C2C(=CC=C3)Cl)C4=NOC(=N4)CN5CCN(CC5)CC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCC1CN2C=C(C3=C2C(=CC=C3)Cl)C4=NOC(=N4)CN5CCN(CC5)CC(=O)N

> <PUBCHEM_CACTVS_TPSA>
103

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
472.1989665

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
21  24  8
21  29  8
22  25  8
24  25  8
24  30  8
29  31  8
3  27  8
3  9  8
30  33  8
31  33  8
5  21  8
5  22  8
8  27  8
8  28  8
9  28  8

$$$$