
 CHEMBL566041

 57 60  0  0  0  0  0  0  0  0999 V2000
    2.4425    1.0389   -1.7772 C   0  0  0  0  0
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    2.0900    0.3736   -2.5720 H   0  0  0  0  0
    3.2950    1.6109   -2.1551 H   0  0  0  0  0
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    5.5279   -3.0552   -0.7238 H   0  0  0  0  0
    7.4587   -4.6502   -0.4720 H   0  0  0  0  0
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    2.5069   -7.5076   -0.0919 H   0  0  0  0  0
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    7.7690   -8.6477   -2.3743 H   0  0  0  0  0
  1  2  1  0  0  0
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  2  7  1  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL566041

>  <PubChem CID>
45487435

>  <Formula>
C22H27N5OS2

>  <Molecular Weight>
441.612000

>  <IUPAC Name>
6-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(6-methylpyridin-2-yl)methyl]-4-morpholin-4-ylpyridin-2-amine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=NC(=CC=C1)CNC2=CC(=CC(=N2)CSC3=NC(=C(S3)C)C)N4CCOCC4

>  <Isomeric SMILES>
CC1=NC(=CC=C1)CNC2=CC(=CC(=N2)CSC3=NC(=C(S3)C)C)N4CCOCC4

>  <InChI Std. ID>
InChI=1S/C22H27N5OS2/c1-15-5-4-6-18(24-15)13-23-21-12-20(27-7-9-28-10-8-27)11-19(26-21)14-29-22-25-16(2)17(3)30-22/h4-6,11-12H,7-10,13-14H2,1-3H3,(H,23,26)

>  <InChI Key>
ARCGKZALGSLFHM-UHFFFAOYSA-N

