
 CHEMBL214029

 92 97  0  0  0  0  0  0  0  0999 V2000
    2.0586    2.5191    4.2190 C   0  0  0  0  0
    1.2052    3.1870    3.1481 C   0  0  0  0  0
    0.6664    1.9935    2.3536 C   0  0  0  0  0
    1.7503    1.0158    2.4234 N   0  0  0  0  0
    2.6933    1.3497    3.4792 C   0  0  0  0  0
    1.8305    0.0019    1.4918 C   0  0  0  0  0
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    3.1445   -0.8184    1.4207 C   0  0  0  0  0
    3.3423   -1.6811    2.6792 C   0  0  0  0  0
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    3.3429   -3.1441    0.8067 C   0  0  0  0  0
    3.1806   -1.7896    0.3022 N   0  0  0  0  0
    3.4001   -1.5271   -1.0418 C   0  0  0  0  0
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    3.4546    0.3398   -3.0023 C   0  0  0  0  0
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    8.2004   -2.0252   -5.1533 F   0  0  0  0  0
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    3.8403    4.7337   -2.7613 C   0  0  0  0  0
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    1.8447    3.8047    2.5060 H   0  0  0  0  0
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    3.8703   -3.8035    2.8315 H   0  0  0  0  0
    3.9382   -3.7685    0.1351 H   0  0  0  0  0
    2.3397   -3.5705    0.9145 H   0  0  0  0  0
    3.9264    0.5042   -0.8645 H   0  0  0  0  0
    2.2206    0.2064   -1.2135 H   0  0  0  0  0
    5.9366   -0.1431   -1.7682 H   0  0  0  0  0
    7.9514   -1.1860   -2.7112 H   0  0  0  0  0
    6.0277   -1.5959   -6.5086 H   0  0  0  0  0
    3.9898   -0.5518   -5.6255 H   0  0  0  0  0
    1.6644    1.9468   -4.5685 H   0  0  0  0  0
   -0.3327    1.2663   -5.7909 H   0  0  0  0  0
    0.3548   -2.8236   -4.7618 H   0  0  0  0  0
    2.3493   -2.2042   -3.5118 H   0  0  0  0  0
    5.4420    2.0886   -4.1187 H   0  0  0  0  0
    5.6238    4.5212   -3.9290 H   0  0  0  0  0
    2.0210    4.6873   -1.6322 H   0  0  0  0  0
    1.7905    2.2440   -1.7663 H   0  0  0  0  0
    5.7761   -3.4015    1.4641 H   0  0  0  0  0
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   -7.1059    4.3444    2.4932 H   0  0  0  0  0
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   -8.2185    2.5612    1.4311 H   0  0  0  0  0
   -7.3269    1.2875   -0.3274 H   0  0  0  0  0
   -5.7845    2.1013   -0.1548 H   0  0  0  0  0
   -7.1596    0.2563    1.8730 H   0  0  0  0  0
   -5.7066   -0.1127    0.9557 H   0  0  0  0  0
  1  5  1  0  0  0
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  2  3  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL214029

>  <PubChem CID>
16085999

>  <Formula>
C38H43F3N4O4

>  <Molecular Weight>
676.781000

>  <IUPAC Name>
(2R)-1-[(2S,4R)-4-hydroxy-1-[3,3,3-tris(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CC(N(C1)C(=O)C2CC(CN2C(=O)CC(C3=CC=C(C=C3)F)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O)C(=O)NCCC6CCNCC6

>  <Isomeric SMILES>
C1C[C@@H](N(C1)C(=O)[C@@H]2C[C@H](CN2C(=O)CC(C3=CC=C(C=C3)F)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O)C(=O)NCCC6CCNCC6

>  <InChI Std. ID>
InChI=1S/C38H43F3N4O4/c39-29-9-3-26(4-10-29)38(27-5-11-30(40)12-6-27,28-7-13-31(41)14-8-28)23-35(47)45-24-32(46)22-34(45)37(49)44-21-1-2-33(44)36(48)43-20-17-25-15-18-42-19-16-25/h3-14,25,32-34,42,46H,1-2,15-24H2,(H,43,48)/t32-,33-,34+/m1/s1

>  <InChI Key>
AIZMFPJJDXEQKC-SXLOSVNLSA-N

