
 SCHEMBL2767740

 57 60  0  0  0  0  0  0  0  0999 V2000
    4.8091    0.8514   -3.4664 C   0  0  0  0  0
    3.6408    0.7728   -2.4787 C   0  0  0  0  0
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    2.7124   -2.9612   -2.2214 C   0  0  0  0  0
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    1.6997   -5.0393   -8.4259 C   0  0  0  0  0
    1.0185   -2.6987   -8.5351 C   0  0  0  0  0
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    2.3682    0.5376   -7.1131 N   0  0  0  0  0
    1.2941    1.3215   -7.3420 C   0  0  0  0  0
    0.1636    0.8990   -7.9455 N   0  0  0  0  0
    0.1289   -0.3974   -8.3319 C   0  0  0  0  0
    1.3461    2.7235   -6.8829 C   0  0  0  0  0
    2.5701    3.3580   -6.5876 C   0  0  0  0  0
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    0.2075    4.8064   -6.2708 C   0  0  0  0  0
    0.1674    3.4814   -6.7162 C   0  0  0  0  0
    1.4735    6.6656   -5.5697 F   0  0  0  0  0
    5.3517    1.7961   -3.3517 H   0  0  0  0  0
    4.4382    0.8096   -4.4968 H   0  0  0  0  0
    5.5227    0.0312   -3.3410 H   0  0  0  0  0
    2.9650    1.6022   -2.7239 H   0  0  0  0  0
    2.6069   -0.6518   -3.7061 H   0  0  0  0  0
    1.8799   -0.4347   -2.1102 H   0  0  0  0  0
    3.1158   -1.4790   -0.0824 H   0  0  0  0  0
    4.6149   -2.3511   -0.4266 H   0  0  0  0  0
    5.0076   -0.0598    0.4780 H   0  0  0  0  0
    5.7664   -0.3057   -1.0813 H   0  0  0  0  0
    3.2638    1.1242   -0.5117 H   0  0  0  0  0
    1.7993   -2.8573   -1.6202 H   0  0  0  0  0
    3.2615   -3.8101   -1.7918 H   0  0  0  0  0
    4.2049   -4.3606   -4.0492 H   0  0  0  0  0
    3.7447   -4.6895   -6.4315 H   0  0  0  0  0
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    0.7688   -5.5708   -8.2012 H   0  0  0  0  0
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    3.5070    2.8150   -6.7069 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
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  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
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  9 10  2  0  0  0
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 30 57  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2767740

>  <PubChem CID>
23728582

>  <Formula>
C24H26FN5O

>  <Molecular Weight>
419.504000

>  <IUPAC Name>
2-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyrimidine-5-carboxamide

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(CCN1)CC2=CC=C(C=C2)N(C)C(=O)C3=CN=C(N=C3)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C[C@H]1CN(CCN1)CC2=CC=C(C=C2)N(C)C(=O)C3=CN=C(N=C3)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C24H26FN5O/c1-17-15-30(12-11-26-17)16-18-3-9-22(10-4-18)29(2)24(31)20-13-27-23(28-14-20)19-5-7-21(25)8-6-19/h3-10,13-14,17,26H,11-12,15-16H2,1-2H3/t17-/m0/s1

>  <InChI Key>
IEIZSNCEZBWELX-KRWDZBQOSA-N

