
 CHEMBL1682670

 76 80  0  0  0  0  0  0  0  0999 V2000
   -0.1947    1.1716   -6.8656 C   0  0  0  0  0
    0.5428    1.2307   -5.6284 N   0  0  0  0  0
    1.7904    1.8105   -5.6086 C   0  0  0  0  0
    2.3173    2.2786   -6.6065 O   0  0  0  0  0
    2.3453    1.7334   -4.3639 N   0  0  0  0  0
    3.7186    2.1210   -3.9468 C   0  0  0  0  0
    3.6614    3.4840   -3.2113 C   0  0  0  0  0
    5.0540    3.9387   -2.7422 C   0  0  0  0  0
    5.9971    4.0878   -3.8597 N   0  0  0  0  0
    6.0661    2.8511   -4.6651 C   0  0  0  0  0
    4.6910    2.3717   -5.1302 C   0  0  0  0  0
    7.3653    4.4307   -3.4251 C   0  0  0  0  0
    7.4332    5.5991   -2.4850 C   0  0  0  0  0
    7.6799    5.3313   -1.0322 C   0  0  0  0  0
    8.7512    6.0882   -1.8402 C   0  0  0  0  0
   10.0870    5.3884   -2.2216 C   0  0  0  0  0
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   14.0405    3.4666   -3.5301 Cl  0  0  0  0  0
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    4.8239   -0.1743   -3.5258 C   0  0  0  0  0
   -1.0402    0.4927   -6.7349 H   0  0  0  0  0
    0.4511    0.8072   -7.6704 H   0  0  0  0  0
   -0.5542    2.1733   -7.1151 H   0  0  0  0  0
    0.0098    1.3021   -4.7754 H   0  0  0  0  0
    1.8615    1.1249   -3.7224 H   0  0  0  0  0
    2.9702    3.4674   -2.3612 H   0  0  0  0  0
    3.2473    4.2465   -3.8876 H   0  0  0  0  0
    4.9151    4.9053   -2.2444 H   0  0  0  0  0
    5.4521    3.2485   -1.9895 H   0  0  0  0  0
    6.6731    3.0436   -5.5589 H   0  0  0  0  0
    6.5689    2.0503   -4.1091 H   0  0  0  0  0
    4.2936    3.1628   -5.7797 H   0  0  0  0  0
    4.7985    1.4899   -5.7709 H   0  0  0  0  0
    7.9541    4.6845   -4.3153 H   0  0  0  0  0
    7.8331    3.5510   -2.9675 H   0  0  0  0  0
    6.7148    6.3686   -2.7497 H   0  0  0  0  0
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    7.0886    5.8941   -0.3141 H   0  0  0  0  0
    9.6640    3.4410   -1.3683 H   0  0  0  0  0
   13.0472    6.0826   -3.8300 H   0  0  0  0  0
   10.9642    7.1400   -3.1592 H   0  0  0  0  0
    8.4759    7.3461   -4.0525 H   0  0  0  0  0
    9.4387    8.8109   -4.2451 H   0  0  0  0  0
    7.6660    8.9261   -4.1013 H   0  0  0  0  0
    9.2348   10.5725   -2.6029 H   0  0  0  0  0
    9.4324   10.0045   -0.9638 H   0  0  0  0  0
    6.9545   11.2623   -3.4370 H   0  0  0  0  0
    4.7687   12.2070   -2.7901 H   0  0  0  0  0
    3.9652   12.0137   -0.4522 H   0  0  0  0  0
    5.3499   10.8402    1.2399 H   0  0  0  0  0
    7.5309    9.8693    0.6061 H   0  0  0  0  0
    3.2819    1.7571   -1.1846 H   0  0  0  0  0
    3.9581   -0.0954    0.2443 H   0  0  0  0  0
    5.1918   -2.0294   -0.6949 H   0  0  0  0  0
    5.7182   -2.0935   -3.1167 H   0  0  0  0  0
    5.0491   -0.2619   -4.5855 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1682670

>  <PubChem CID>
53321008

>  <Formula>
C32H36Cl2N4O2

>  <Molecular Weight>
579.566000

>  <IUPAC Name>
(1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2-[[4-(methylcarbamoylamino)-4-phenylpiperidin-1-yl]methyl]cyclopropane-1-carboxamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CNC(=O)NC1(CCN(CC1)CC2CC2(C3=CC(=C(C=C3)Cl)Cl)C(=O)N(C)CC4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
CNC(=O)NC1(CCN(CC1)C[C@@H]2C[C@]2(C3=CC(=C(C=C3)Cl)Cl)C(=O)N(C)CC4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C32H36Cl2N4O2/c1-35-30(40)36-31(24-11-7-4-8-12-24)15-17-38(18-16-31)22-26-20-32(26,25-13-14-27(33)28(34)19-25)29(39)37(2)21-23-9-5-3-6-10-23/h3-14,19,26H,15-18,20-22H2,1-2H3,(H2,35,36,40)/t26-,32+/m0/s1

>  <InChI Key>
BEUZUMJUVANYFS-XYFQYJLHSA-N

