
 CHEMBL3287814

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    6.6127    4.0366   -1.7921 C   0  0  0  0  0
    7.9930    4.0356   -2.0479 C   0  0  0  0  0
    8.4948    3.4322   -3.2036 C   0  0  0  0  0
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    6.2453    2.8195   -3.8530 C   0  0  0  0  0
    5.7390    3.4380   -2.7047 C   0  0  0  0  0
    8.2381    2.0725   -5.5182 Cl  0  0  0  0  0
    6.6105    5.9794   -0.2969 N   0  0  0  0  0
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   -2.6475    2.5369   -1.5824 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3287814

>  <PubChem CID>
90644578

>  <Formula>
C20H23ClN2OS

>  <Molecular Weight>
374.927000

>  <IUPAC Name>
4-chloro-N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]benzenecarboximidamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=C(C=C(C=C1)N=C(C2=CC=C(C=C2)Cl)N)CSC3CCCC3

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)N=C(C2=CC=C(C=C2)Cl)N)CSC3CCCC3

>  <InChI Std. ID>
InChI=1S/C20H23ClN2OS/c1-24-19-11-10-17(12-15(19)13-25-18-4-2-3-5-18)23-20(22)14-6-8-16(21)9-7-14/h6-12,18H,2-5,13H2,1H3,(H2,22,23)

>  <InChI Key>
DUXIZOUPWNWNDN-UHFFFAOYSA-N

