
 CHEMBL2260849

 55 59  0  0  0  0  0  0  0  0999 V2000
    1.1730   -0.0327   -0.0343 C   0  0  0  0  0
    2.6159    0.2328   -0.1438 N   0  0  0  0  0
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    5.3825   -2.9503    1.8577 O   0  0  0  0  0
    2.7881   -3.9033    0.7859 C   0  0  0  0  0
    1.8043   -3.5865    1.7415 C   0  0  0  0  0
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    4.0890    4.1271   -1.5311 C   0  0  0  0  0
    2.2187    2.4550   -1.3564 C   0  0  0  0  0
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    2.0693   -2.3935   -1.3811 H   0  0  0  0  0
    5.1703   -2.5551   -1.4764 H   0  0  0  0  0
    3.9948   -3.8820   -1.8068 H   0  0  0  0  0
    3.9420   -1.4849    1.8702 H   0  0  0  0  0
    5.2018   -1.3347    0.6391 H   0  0  0  0  0
    4.7896   -3.5571    2.3379 H   0  0  0  0  0
    1.6632   -2.5491    2.0404 H   0  0  0  0  0
    0.2615   -4.2932    3.0719 H   0  0  0  0  0
    0.5430   -6.6712    2.4180 H   0  0  0  0  0
    2.2624   -7.2897    0.7393 H   0  0  0  0  0
    3.6951   -5.5640   -0.2631 H   0  0  0  0  0
    4.8387    1.5357   -1.3482 H   0  0  0  0  0
    5.0445    1.4203    0.4018 H   0  0  0  0  0
    5.9184    3.5566   -0.5230 H   0  0  0  0  0
    4.9628    3.5722    1.7770 H   0  0  0  0  0
    4.6799    5.1155    0.9747 H   0  0  0  0  0
    2.6082    4.3195    2.1042 H   0  0  0  0  0
    3.0795    1.8775    1.9762 H   0  0  0  0  0
    1.4897    2.2931    1.3457 H   0  0  0  0  0
    2.3764    5.6430    0.0047 H   0  0  0  0  0
    1.0754    4.4631    0.1412 H   0  0  0  0  0
    2.0446    4.4609   -2.1606 H   0  0  0  0  0
    4.3998    3.7046   -2.4946 H   0  0  0  0  0
    4.3448    5.1934   -1.5547 H   0  0  0  0  0
    1.1309    2.3630   -1.2573 H   0  0  0  0  0
    2.4870    2.0285   -2.3308 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 26  1  0  0  0
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  2  3  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  9  1  0  0  0
  6  7  1  0  0  0
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  7 33  1  0  0  0
  7 34  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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 11 12  2  0  0  0
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 15 24  1  0  0  0
 16 17  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2260849

>  <PubChem CID>
11120930

>  <Formula>
C22H31NO

>  <Molecular Weight>
325.496000

>  <IUPAC Name>
[(1S,2R)-2-[[1-adamantyl(methyl)amino]methyl]-1-phenylcyclopropyl]methanol

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(CC1CC1(CO)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

>  <Isomeric SMILES>
CN(C[C@@H]1C[C@@]1(CO)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

>  <InChI Std. ID>
InChI=1S/C22H31NO/c1-23(21-10-16-7-17(11-21)9-18(8-16)12-21)14-20-13-22(20,15-24)19-5-3-2-4-6-19/h2-6,16-18,20,24H,7-15H2,1H3/t16?,17?,18?,20-,21?,22+/m0/s1

>  <InChI Key>
AETYSQAVZQJJIL-GNXLQELYSA-N

