
 CHEMBL2204941

 56 61  0  0  0  0  0  0  0  0999 V2000
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    2.2277   -0.4097   -1.5964 H   0  0  0  0  0
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    3.7998    1.1111    0.5581 H   0  0  0  0  0
    1.8749    2.6982    0.8225 H   0  0  0  0  0
    1.1932    3.3608   -0.6623 H   0  0  0  0  0
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    2.1214    0.7252    2.0765 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2204941

>  <PubChem CID>
71452299

>  <Formula>
C25H25FN4O

>  <Molecular Weight>
416.500000

>  <IUPAC Name>
(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1COCCC1C2C3=C(CC(N2)C4=NC=C(N4)C5=CC=C(C=C5)F)C6=CC=CC=C6N3

>  <Isomeric SMILES>
C1COCCC1[C@@H]2C3=C(C[C@@H](N2)C4=NC=C(N4)C5=CC=C(C=C5)F)C6=CC=CC=C6N3

>  <InChI Std. ID>
InChI=1S/C25H25FN4O/c26-17-7-5-15(6-8-17)22-14-27-25(30-22)21-13-19-18-3-1-2-4-20(18)28-24(19)23(29-21)16-9-11-31-12-10-16/h1-8,14,16,21,23,28-29H,9-13H2,(H,27,30)/t21-,23-/m1/s1

>  <InChI Key>
FRWHMBLUCGXEQQ-FYYLOGMGSA-N

