
 CHEMBL3938708

 59 63  0  0  0  0  0  0  0  0999 V2000
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    7.5123    0.5377    2.2784 C   0  0  0  0  0
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    7.6652    2.1532    4.6554 F   0  0  0  0  0
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    2.5780    0.2929    1.2747 H   0  0  0  0  0
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    5.3959   -4.9085    0.9824 H   0  0  0  0  0
    3.4605   -8.9921   -0.4533 H   0  0  0  0  0
    0.7446   -7.4870   -0.0389 H   0  0  0  0  0
    1.4496   -8.7485    1.0682 H   0  0  0  0  0
    1.4634  -10.4030   -0.8352 H   0  0  0  0  0
    0.7643   -9.1360   -1.9401 H   0  0  0  0  0
    1.8820   -4.1630   -3.6626 H   0  0  0  0  0
    1.1156   -5.5863   -2.9569 H   0  0  0  0  0
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   11.9981   -0.9399    2.1225 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2 31  1  0  0  0
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  2 35  1  0  0  0
  3  4  1  0  0  0
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  4  5  1  0  0  0
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  5  6  2  0  0  0
  6  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3938708

>  <PubChem CID>
134149019

>  <Formula>
C25H28FN3O2

>  <Molecular Weight>
421.516000

>  <IUPAC Name>
(6S)-3-(4-cyclopropyloxy-3-methylphenyl)-1-[2-(fluoromethyl)-6-methylpyridin-4-yl]-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CN2C(=C(N=C2C3=CC(=C(C=C3)OC4CC4)C)C5=CC(=NC(=C5)CF)C)CCO1

>  <Isomeric SMILES>
C[C@H]1CN2C(=C(N=C2C3=CC(=C(C=C3)OC4CC4)C)C5=CC(=NC(=C5)CF)C)CCO1

>  <InChI Std. ID>
InChI=1S/C25H28FN3O2/c1-15-10-18(4-7-23(15)31-21-5-6-21)25-28-24(19-11-16(2)27-20(12-19)13-26)22-8-9-30-17(3)14-29(22)25/h4,7,10-12,17,21H,5-6,8-9,13-14H2,1-3H3/t17-/m0/s1

>  <InChI Key>
AOKFYLVAJDLEJH-KRWDZBQOSA-N

