
 CHEMBL1210701

 67 71  0  0  0  0  0  0  0  0999 V2000
    3.8733   -0.3303   -1.8332 C   0  0  0  0  0
    5.1855    0.1953   -1.4976 N   0  0  0  0  0
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    3.2834    4.4316    0.1149 C   0  0  0  0  0
    4.8738    7.2760    2.2960 C   0  0  0  0  0
    5.9687    7.4991    2.8101 O   0  0  0  0  0
    4.0500    8.3325    2.0260 N   0  0  0  0  0
    3.4831    5.3293    3.1075 N   0  0  0  0  0
    4.1519    4.9460    4.3709 C   0  0  0  0  0
    4.2601    6.0649    5.4157 C   0  0  0  0  0
    2.9589    6.5646    5.7396 O   0  0  0  0  0
    2.3323    7.0970    4.5710 C   0  0  0  0  0
    2.2382    6.0554    3.4330 C   0  0  0  0  0
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    3.7400   -0.2750   -2.9152 H   0  0  0  0  0
    7.3076    2.3232   -0.2633 H   0  0  0  0  0
    5.2883   -2.9815   -1.5280 H   0  0  0  0  0
    5.4234   -4.8112   -3.1644 H   0  0  0  0  0
    7.9516   -2.3961   -5.6720 H   0  0  0  0  0
    7.7753   -0.5337   -4.0640 H   0  0  0  0  0
   11.0901   -2.5263   -0.2300 H   0  0  0  0  0
   11.7844    1.6115   -1.1342 H   0  0  0  0  0
    9.3816    1.9671   -1.4291 H   0  0  0  0  0
    6.1238    2.9371    1.2294 H   0  0  0  0  0
    4.6014    3.0194    2.0670 H   0  0  0  0  0
    6.2556    4.9027    2.6208 H   0  0  0  0  0
    6.2096    5.3953    0.9598 H   0  0  0  0  0
    2.6664    6.4088    0.6603 H   0  0  0  0  0
    4.2226    6.3462   -0.1170 H   0  0  0  0  0
    2.5305    3.9472    0.7481 H   0  0  0  0  0
    2.8427    4.5370   -0.8821 H   0  0  0  0  0
    3.1124    8.2455    1.6642 H   0  0  0  0  0
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    1.5254    5.2892    3.7656 H   0  0  0  0  0
    1.7724    6.5128    2.5569 H   0  0  0  0  0
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  1 39  1  0  0  0
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  2  3  1  0  0  0
  2  6  1  0  0  0
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  3 22  1  0  0  0
  4  5  1  0  0  0
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 38 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1210701

>  <PubChem CID>
49863214

>  <Formula>
C28H29Cl3N4O3

>  <Molecular Weight>
575.915000

>  <IUPAC Name>
1-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methylpyrrole-2-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C(=CC(=C1C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl)C(=O)N4CCC(CC4)(C(=O)N)N5CCOCC5

>  <Isomeric SMILES>
CN1C(=CC(=C1C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl)C(=O)N4CCC(CC4)(C(=O)N)N5CCOCC5

>  <InChI Std. ID>
InChI=1S/C28H29Cl3N4O3/c1-33-24(26(36)34-10-8-28(9-11-34,27(32)37)35-12-14-38-15-13-35)17-22(21-7-6-20(30)16-23(21)31)25(33)18-2-4-19(29)5-3-18/h2-7,16-17H,8-15H2,1H3,(H2,32,37)

>  <InChI Key>
BNPSKGKNVULNAV-UHFFFAOYSA-N

