
 CHEMBL1771098

 60 64  0  0  0  0  0  0  0  0999 V2000
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   -2.2692    2.1306    8.7089 C   0  0  0  0  0
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    7.8008   -2.0211    6.5995 C   0  0  0  0  0
    8.6973   -1.4300    7.6514 C   0  0  0  0  0
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    9.6167   -0.2761    7.3210 C   0  0  0  0  0
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   10.9074    1.8230    7.8643 C   0  0  0  0  0
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    9.1636    3.3515    7.0046 N   0  0  0  0  0
    8.0816    2.4709    7.4495 C   0  0  0  0  0
    8.5353    1.6097    8.6231 C   0  0  0  0  0
    8.7533    4.2644    6.0249 C   0  0  0  0  0
    9.6679    4.7858    5.1847 N   0  0  0  0  0
    9.2502    5.6798    4.2616 C   0  0  0  0  0
    7.9465    6.0855    4.1329 C   0  0  0  0  0
    7.0770    5.5100    5.0212 C   0  0  0  0  0
    7.4514    4.6102    5.9573 N   0  0  0  0  0
    7.4457    7.2149    2.9549 Cl  0  0  0  0  0
    1.7061    0.3471    8.9404 F   0  0  0  0  0
   -2.6622    3.8234    7.3166 H   0  0  0  0  0
   -1.1444    4.0105    8.3016 H   0  0  0  0  0
   -3.3010    1.8001    8.6787 H   0  0  0  0  0
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    2.7341    1.3998    4.6453 H   0  0  0  0  0
    7.1766   -0.1683    5.6600 H   0  0  0  0  0
    6.0986   -1.5661    5.3825 H   0  0  0  0  0
    8.3849   -2.3517    5.7329 H   0  0  0  0  0
    7.3228   -2.9101    7.0281 H   0  0  0  0  0
    8.2283   -1.4476    8.6303 H   0  0  0  0  0
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    7.2151    3.0479    7.7965 H   0  0  0  0  0
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    6.0189    5.7530    5.0186 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
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  2 35  1  0  0  0
  2 36  1  0  0  0
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  4  5  1  0  0  0
  4 38  1  0  0  0
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  5  6  2  0  0  0
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  7 12  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1771098

>  <PubChem CID>
54587813

>  <Formula>
C24H28ClFN4O2

>  <Molecular Weight>
458.962000

>  <IUPAC Name>
4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-N-cyclopropyl-2-fluorobenzamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1NC(=O)C2=C(C=C(C=C2)OCCC3CC3C4CCN(CC4)C5=NC=C(C=N5)Cl)F

>  <Isomeric SMILES>
C1CC1NC(=O)C2=C(C=C(C=C2)OCCC3CC3C4CCN(CC4)C5=NC=C(C=N5)Cl)F

>  <InChI Std. ID>
InChI=1S/C24H28ClFN4O2/c25-17-13-27-24(28-14-17)30-8-5-15(6-9-30)21-11-16(21)7-10-32-19-3-4-20(22(26)12-19)23(31)29-18-1-2-18/h3-4,12-16,18,21H,1-2,5-11H2,(H,29,31)

>  <InChI Key>
CMRYHKUOCWIKMH-UHFFFAOYSA-N

