
 CHEMBL25493

 47 49  0  0  0  0  0  0  0  0999 V2000
    0.9602   -0.2798   -0.8266 C   0  0  0  0  0
    2.1821   -0.0598   -1.5891 N   0  0  0  0  0
    2.2098   -0.8685   -2.8064 C   0  0  0  0  0
    3.4537   -0.3438   -3.4829 C   0  0  0  0  0
    3.4092    1.1559   -3.2163 C   0  0  0  0  0
    2.4728    1.3507   -1.9839 C   0  0  0  0  0
    1.2297    2.1858   -2.3940 C   0  0  0  0  0
    1.5764    3.6375   -2.7362 C   0  0  0  0  0
    2.3240    4.3216   -1.5989 C   0  0  0  0  0
    3.5578    3.5348   -1.1680 C   0  0  0  0  0
    3.2035    2.0834   -0.7993 C   0  0  0  0  0
    4.3788    1.3195   -0.3744 N   0  0  0  0  0
    5.0763    1.6018    0.7820 C   0  0  0  0  0
    4.8254    2.5444    1.5262 O   0  0  0  0  0
    6.2155    0.6357    1.0496 C   0  0  0  0  0
    5.8512   -0.4464    2.0340 C   0  0  0  0  0
    5.3183   -1.6658    1.5901 C   0  0  0  0  0
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    5.6928   -1.2438    4.3219 C   0  0  0  0  0
    6.0244   -0.2406    3.4084 C   0  0  0  0  0
    4.7912   -3.6592    5.0578 Cl  0  0  0  0  0
    4.3372   -4.1447    1.8722 Cl  0  0  0  0  0
    0.9435    0.3353    0.0787 H   0  0  0  0  0
    0.9086   -1.3232   -0.4954 H   0  0  0  0  0
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    3.4760   -0.5727   -4.5526 H   0  0  0  0  0
    4.4268    1.5288   -3.0623 H   0  0  0  0  0
    3.0138    1.6503   -4.1103 H   0  0  0  0  0
    0.7217    1.7279   -3.2517 H   0  0  0  0  0
    0.5018    2.2085   -1.5733 H   0  0  0  0  0
    2.1812    3.6817   -3.6488 H   0  0  0  0  0
    0.6539    4.1900   -2.9492 H   0  0  0  0  0
    1.6510    4.4382   -0.7404 H   0  0  0  0  0
    2.6208    5.3302   -1.9078 H   0  0  0  0  0
    4.0150    4.0492   -0.3157 H   0  0  0  0  0
    4.3079    3.5555   -1.9675 H   0  0  0  0  0
    2.5310    2.1134    0.0693 H   0  0  0  0  0
    4.3465    0.3461   -0.6548 H   0  0  0  0  0
    7.0705    1.2154    1.4202 H   0  0  0  0  0
    6.5568    0.1873    0.1079 H   0  0  0  0  0
    5.1669   -1.8386    0.5264 H   0  0  0  0  0
    5.8406   -1.0671    5.3850 H   0  0  0  0  0
    6.4180    0.7063    3.7769 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL25493

>  <PubChem CID>
14548227

>  <Formula>
C18H24Cl2N2O

>  <Molecular Weight>
355.303000

>  <IUPAC Name>
2-(3,4-dichlorophenyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]acetamide

>  <XlogP>
4.100

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CCCC12CCCCC2NC(=O)CC3=CC(=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
CN1CCC[C@@]12CCCC[C@@H]2NC(=O)CC3=CC(=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C18H24Cl2N2O/c1-22-10-4-9-18(22)8-3-2-5-16(18)21-17(23)12-13-6-7-14(19)15(20)11-13/h6-7,11,16H,2-5,8-10,12H2,1H3,(H,21,23)/t16-,18+/m0/s1

>  <InChI Key>
ACJWWDOSBNCLFC-FUHWJXTLSA-N

