
 CHEMBL523814

 69 73  0  0  0  0  0  0  0  0999 V2000
    1.0677    0.0906   -1.1346 C   0  0  0  0  0
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    7.3041   -4.2347    7.2926 C   0  0  0  0  0
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    3.3774   -0.8771   -2.1904 H   0  0  0  0  0
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    4.8496    1.1731   -2.4795 H   0  0  0  0  0
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    5.3488   -4.0896    4.5739 H   0  0  0  0  0
   -5.8828    2.5884   -0.5424 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL523814

>  <PubChem CID>
44565111

>  <Formula>
C29H32ClN5O2

>  <Molecular Weight>
518.058000

>  <IUPAC Name>
1-[4-(2,1,3-benzoxadiazol-5-yl)piperazin-1-yl]-3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propan-1-one;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(CCC1C2=CC=CC=C2C3=CC=CC=C13)CCC(=O)N4CCN(CC4)C5=CC6=NON=C6C=C5.Cl

>  <Isomeric SMILES>
CN(CCC1C2=CC=CC=C2C3=CC=CC=C13)CCC(=O)N4CCN(CC4)C5=CC6=NON=C6C=C5.Cl

>  <InChI Std. ID>
InChI=1S/C29H31N5O2.ClH/c1-32(14-12-26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26)15-13-29(35)34-18-16-33(17-19-34)21-10-11-27-28(20-21)31-36-30-27;/h2-11,20,26H,12-19H2,1H3;1H

>  <InChI Key>
FDWLCVMFPBEXMW-UHFFFAOYSA-N

