
 CHEMBL3978813

 56 59  0  0  0  0  0  0  0  0999 V2000
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    3.5129   -1.8822   -1.0026 H   0  0  0  0  0
    5.2016   -3.3121    1.1276 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3978813

>  <PubChem CID>
90452853

>  <Formula>
C23H29FN2O

>  <Molecular Weight>
368.496000

>  <IUPAC Name>
N-(5-fluoro-2-methylphenoxy)-4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]aniline

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CCCN1C2CCC(C2)C3=CC=C(C=C3)NOC4=C(C=CC(=C4)F)C

>  <Isomeric SMILES>
C[C@H]1CCCN1C2CC[C@@H](C2)C3=CC=C(C=C3)NOC4=C(C=CC(=C4)F)C

>  <InChI Std. ID>
InChI=1S/C23H29FN2O/c1-16-5-9-20(24)15-23(16)27-25-21-10-6-18(7-11-21)19-8-12-22(14-19)26-13-3-4-17(26)2/h5-7,9-11,15,17,19,22,25H,3-4,8,12-14H2,1-2H3/t17-,19-,22?/m0/s1

>  <InChI Key>
AHMNSAFIBBXPBS-UYJNAUHUSA-N

