
 CHEMBL313424

 65 70  0  0  0  0  0  0  0  0999 V2000
    1.2050    0.5831    0.8965 C   0  0  0  0  0
    2.5751    0.4970    0.4692 N   0  0  0  0  0
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   12.2383   -2.9090    0.5999 C   0  0  0  0  0
   10.8404   -2.9312    0.6241 C   0  0  0  0  0
   14.2733   -3.9372   -0.0003 F   0  0  0  0  0
    0.7962    1.5568    0.6157 H   0  0  0  0  0
    1.1761    0.4660    1.9829 H   0  0  0  0  0
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    8.9991   -1.1477   -0.2941 H   0  0  0  0  0
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    8.4579   -6.1668    0.1007 H   0  0  0  0  0
    4.5870   -5.2665   -0.2608 H   0  0  0  0  0
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    7.3373   -8.0522   -0.3047 H   0  0  0  0  0
    5.4244   -8.0748    2.7839 H   0  0  0  0  0
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    3.9958   -6.5896    1.4913 H   0  0  0  0  0
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    0.6855  -12.8207   -0.3514 H   0  0  0  0  0
   -0.0811  -11.6951    0.7997 H   0  0  0  0  0
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   12.8246   -5.8612   -0.9677 H   0  0  0  0  0
   12.7865   -2.0811    1.0385 H   0  0  0  0  0
   10.3290   -2.1235    1.1392 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
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  9 10  2  0  0  0
  9 15  1  0  0  0
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 35 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL313424

>  <PubChem CID>
11016418

>  <Formula>
C27H29FN6O2

>  <Molecular Weight>
488.567000

>  <IUPAC Name>
3-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1C=NC(=N1)C2=CC3=C(C=C2)N(C=C3C4CCN(CC4)CCN5CCOC5=O)C6=CC=C(C=C6)F

>  <Isomeric SMILES>
CN1C=NC(=N1)C2=CC3=C(C=C2)N(C=C3C4CCN(CC4)CCN5CCOC5=O)C6=CC=C(C=C6)F

>  <InChI Std. ID>
InChI=1S/C27H29FN6O2/c1-31-18-29-26(30-31)20-2-7-25-23(16-20)24(17-34(25)22-5-3-21(28)4-6-22)19-8-10-32(11-9-19)12-13-33-14-15-36-27(33)35/h2-7,16-19H,8-15H2,1H3

>  <InChI Key>
KNLXBMUXNMBWBW-UHFFFAOYSA-N

