
 SCHEMBL603807

 58 61  0  0  0  0  0  0  0  0999 V2000
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    5.4381    5.2551    2.8492 C   0  0  0  0  0
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    5.6420   12.3866    4.6713 C   0  0  0  0  0
    5.8276   13.8227    4.1704 C   0  0  0  0  0
    4.5740   14.5675    4.0004 N   0  0  0  0  0
    3.6249   13.8261    3.1604 C   0  0  0  0  0
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    3.8429    4.5533   -1.4888 H   0  0  0  0  0
    4.7201    4.6260    3.3840 H   0  0  0  0  0
    5.5981    6.1567    3.4508 H   0  0  0  0  0
    6.4001    4.7403    2.7704 H   0  0  0  0  0
    4.2517    8.7674   -1.2632 H   0  0  0  0  0
    5.3283   10.4602   -0.1987 H   0  0  0  0  0
    6.0902    9.1598    0.6999 H   0  0  0  0  0
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    6.3517   13.8044    3.2070 H   0  0  0  0  0
    2.6774   14.3748    3.0904 H   0  0  0  0  0
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    2.6661   11.9050    2.9481 H   0  0  0  0  0
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    3.7029   14.1119    5.9089 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL603807

>  <PubChem CID>
23650960

>  <Formula>
C22H29FN6

>  <Molecular Weight>
396.514000

>  <IUPAC Name>
5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC2=C1N=C(N2)C3=CN=C(N=C3C)NCCCC4CCN(CC4)C)F

>  <Isomeric SMILES>
CC1=C(C=CC2=C1N=C(N2)C3=CN=C(N=C3C)NCCCC4CCN(CC4)C)F

>  <InChI Std. ID>
InChI=1S/C22H29FN6/c1-14-18(23)6-7-19-20(14)28-21(27-19)17-13-25-22(26-15(17)2)24-10-4-5-16-8-11-29(3)12-9-16/h6-7,13,16H,4-5,8-12H2,1-3H3,(H,27,28)(H,24,25,26)

>  <InChI Key>
AUWBEHSRDMALLO-UHFFFAOYSA-N

