
 CHEMBL67171

 90 93  0  0  0  0  0  0  0  0999 V2000
   10.3045    3.1451    0.0238 C   0  0  0  0  0
   10.0587    2.6827   -1.3345 N   0  0  0  0  0
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    7.6338    8.9445   -2.5252 H   0  0  0  0  0
    5.4979    8.9142   -2.8084 H   0  0  0  0  0
    4.6557    6.7626   -4.0661 H   0  0  0  0  0
    3.7197    8.2277   -3.8697 H   0  0  0  0  0
    2.2212    6.4588   -3.4431 H   0  0  0  0  0
    3.3136    5.5968   -2.4307 H   0  0  0  0  0
    3.0417    7.8684    0.4292 H   0  0  0  0  0
    3.9050    6.4935   -0.1829 H   0  0  0  0  0
    4.1662    9.3926   -1.0812 H   0  0  0  0  0
    5.3554    8.4622   -0.2018 H   0  0  0  0  0
    2.1070    9.1670   -2.3249 H   0  0  0  0  0
    1.3658    8.8712   -0.7588 H   0  0  0  0  0
   -0.0290    7.0104   -2.0608 H   0  0  0  0  0
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   -3.6633   10.9786   -1.4944 H   0  0  0  0  0
   -5.2603    6.3257   -0.0974 H   0  0  0  0  0
   -6.7262    3.8933   -3.3297 H   0  0  0  0  0
   -6.5701    8.1707   -3.7626 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL67171

>  <PubChem CID>
44307820

>  <Formula>
C34H43Cl4N5O4

>  <Molecular Weight>
727.549000

>  <IUPAC Name>
3,5-dichloro-N-[(2Z,3R)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-methoxyiminopentyl]-N-methylbenzamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)C(=O)CC1CCCN(C1=O)C2CCN(CC2)CCC(C3=CC(=C(C=C3)Cl)Cl)C(=NOC)CN(C)C(=O)C4=CC(=CC(=C4)Cl)Cl

>  <Isomeric SMILES>
CN(C)C(=O)CC1CCCN(C1=O)C2CCN(CC2)CC[C@H](C3=CC(=C(C=C3)Cl)Cl)/C(=N/OC)/CN(C)C(=O)C4=CC(=CC(=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+/t23?,28-/m1/s1

>  <InChI Key>
KSKVAYCSTHFCER-YTJDYPNHSA-N

