
 CHEMBL3104207

 82 86  0  0  0  0  0  0  0  0999 V2000
    3.6179    0.1157    3.4249 C   0  0  0  0  0
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    9.6819    6.3236   -0.7729 H   0  0  0  0  0
    9.5408    9.1533   -4.3399 H   0  0  0  0  0
    8.5879    6.0464   -5.6541 H   0  0  0  0  0
    9.0355    5.7337   -7.2514 H   0  0  0  0  0
    6.9908    4.6582   -7.5750 H   0  0  0  0  0
    6.5824    5.0329   -5.9067 H   0  0  0  0  0
    5.7770    6.4473   -8.4130 H   0  0  0  0  0
    4.9033    6.3480   -6.8844 H   0  0  0  0  0
    6.0701    8.6429   -7.6157 H   0  0  0  0  0
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    8.0321   10.1496   -8.3472 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3104207

>  <PubChem CID>
16665228

>  <Formula>
C34H41FN4O2

>  <Molecular Weight>
556.726000

>  <IUPAC Name>
N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-1-phenylcyclopentane-1-carboxamide

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC)C(=O)C(C1=CC=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4(CCCC4)C5=CC=CC=C5)F

>  <Isomeric SMILES>
CCN(CC)C(=O)C(C1=CC=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4(CCCC4)C5=CC=CC=C5)F

>  <InChI Std. ID>
InChI=1S/C34H41FN4O2/c1-3-37(4-2)32(40)31(26-13-7-5-8-14-26)39-23-21-38(22-24-39)30-18-17-28(25-29(30)35)36-33(41)34(19-11-12-20-34)27-15-9-6-10-16-27/h5-10,13-18,25,31H,3-4,11-12,19-24H2,1-2H3,(H,36,41)

>  <InChI Key>
CAVHOWBMUHUXQX-UHFFFAOYSA-N

