
 CHEMBL3104204

 74 77  0  0  0  0  0  0  0  0999 V2000
    3.8437    0.0208    3.2149 C   0  0  0  0  0
    4.8147    0.2308    2.0628 C   0  0  0  0  0
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    3.6611    8.1928   -6.4770 O   0  0  0  0  0
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    8.7426    4.1259   -3.4411 F   0  0  0  0  0
    4.3934   -0.1802    4.1395 H   0  0  0  0  0
    3.1937   -0.8378    3.0295 H   0  0  0  0  0
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    5.6029    0.9045    2.3893 H   0  0  0  0  0
    3.8479   -1.2285    0.1825 H   0  0  0  0  0
    3.5487    0.0194   -1.0132 H   0  0  0  0  0
    1.7309   -0.5937    1.3756 H   0  0  0  0  0
    1.4138   -0.9442   -0.3266 H   0  0  0  0  0
    1.4753    0.7366    0.2403 H   0  0  0  0  0
    4.9439    4.0324    0.4661 H   0  0  0  0  0
    5.8442    2.7238    3.8049 H   0  0  0  0  0
    4.7553    3.5588    5.8446 H   0  0  0  0  0
    2.6922    4.9265    5.6999 H   0  0  0  0  0
    1.7070    5.4452    3.4827 H   0  0  0  0  0
    2.7777    4.6217    1.4250 H   0  0  0  0  0
    6.4412    1.5243   -0.5520 H   0  0  0  0  0
    8.0245    2.0212   -0.0528 H   0  0  0  0  0
    7.4714    3.0354   -2.1524 H   0  0  0  0  0
    5.9933    3.7773   -1.5440 H   0  0  0  0  0
    8.1724    5.8435    0.9142 H   0  0  0  0  0
    6.4453    5.6621    0.5414 H   0  0  0  0  0
    8.3794    3.5881    1.6871 H   0  0  0  0  0
    7.0754    4.3594    2.5310 H   0  0  0  0  0
    8.9333    6.0195   -5.0669 H   0  0  0  0  0
    7.7305    9.0748   -2.2824 H   0  0  0  0  0
    7.4640    7.4103   -0.5650 H   0  0  0  0  0
    8.5454    9.6278   -4.4640 H   0  0  0  0  0
    7.3745    6.6223   -6.3017 H   0  0  0  0  0
    7.7081    7.4235   -7.8060 H   0  0  0  0  0
    6.4599    8.5887   -9.6370 H   0  0  0  0  0
    6.3483   10.1973   -8.8921 H   0  0  0  0  0
    5.0085    9.5705   -9.8710 H   0  0  0  0  0
    5.3481    6.0338   -4.7506 H   0  0  0  0  0
    3.7071    6.6487   -4.5080 H   0  0  0  0  0
    5.0905    7.5820   -3.9159 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3104204

>  <PubChem CID>
16667181

>  <Formula>
C29H36FN5O3

>  <Molecular Weight>
521.637000

>  <IUPAC Name>
2-[4-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCN(CC)C(=O)C(C1=CC=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)CC4=C(ON=C4C)C)F

>  <Isomeric SMILES>
CCN(CC)C(=O)C(C1=CC=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)CC4=C(ON=C4C)C)F

>  <InChI Std. ID>
InChI=1S/C29H36FN5O3/c1-5-33(6-2)29(37)28(22-10-8-7-9-11-22)35-16-14-34(15-17-35)26-13-12-23(18-25(26)30)31-27(36)19-24-20(3)32-38-21(24)4/h7-13,18,28H,5-6,14-17,19H2,1-4H3,(H,31,36)

>  <InChI Key>
ABUDMCZYSZRCBM-UHFFFAOYSA-N

