
 CHEMBL184545

 69 72  0  0  0  0  0  0  0  0999 V2000
    2.3104   -0.4819    2.2784 C   0  0  0  0  0
    1.8710   -0.4882    0.8892 N   0  0  0  0  0
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    1.8717    0.3477    2.8368 H   0  0  0  0  0
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    1.3968   -2.9118    0.5068 H   0  0  0  0  0
    2.0119   -2.5388   -2.4685 H   0  0  0  0  0
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    1.2258   -8.6602   -6.0696 H   0  0  0  0  0
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    5.1064   -9.8976   -4.7312 H   0  0  0  0  0
    5.3016   -7.8349   -3.3700 H   0  0  0  0  0
    3.4867   -6.2057   -3.3194 H   0  0  0  0  0
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    4.6530   -2.6825   -1.4400 H   0  0  0  0  0
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   -3.7353    3.1913    3.4344 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL184545

>  <PubChem CID>
44394183

>  <Formula>
C29H33Cl2N3O2

>  <Molecular Weight>
526.502000

>  <IUPAC Name>
4-amino-N-[(2R)-2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-N-methylbenzamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CC(CCN1CCC(CC1)(C2=CC=CC=C2)O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC=C(C=C4)N

>  <Isomeric SMILES>
CN(C[C@H](CCN1CCC(CC1)(C2=CC=CC=C2)O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC=C(C=C4)N

>  <InChI Std. ID>
InChI=1S/C29H33Cl2N3O2/c1-33(28(35)21-7-10-25(32)11-8-21)20-23(22-9-12-26(30)27(31)19-22)13-16-34-17-14-29(36,15-18-34)24-5-3-2-4-6-24/h2-12,19,23,36H,13-18,20,32H2,1H3/t23-/m0/s1

>  <InChI Key>
JSAIZRIJWCBVTM-QHCPKHFHSA-N

