
 SCHEMBL2683528

 72 76  0  0  0  0  0  0  0  0999 V2000
    0.9718    4.3650    8.0255 C   0  0  0  0  0
    1.6051    5.0481    6.8499 C   0  0  0  0  0
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    3.3072    6.5119    5.9435 C   0  0  0  0  0
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    3.4966    7.0333    3.5016 C   0  0  0  0  0
    1.0940    5.2495    3.0746 C   0  0  0  0  0
    1.6646    4.1232    2.3698 N   0  0  0  0  0
    1.1015    2.8688    2.4275 C   0  0  0  0  0
    0.1173    2.6081    3.1108 O   0  0  0  0  0
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    0.2826    4.1654    5.3944 H   0  0  0  0  0
    4.1624    7.1611    6.1213 H   0  0  0  0  0
    3.1032    6.0563    8.0339 H   0  0  0  0  0
    4.3393    7.6397    3.8510 H   0  0  0  0  0
    2.7946    7.7106    3.0053 H   0  0  0  0  0
    3.8871    6.3108    2.7787 H   0  0  0  0  0
    1.2195    6.1294    2.4359 H   0  0  0  0  0
    0.0111    5.1084    3.1773 H   0  0  0  0  0
    2.5677    4.2378    1.9175 H   0  0  0  0  0
    2.8635    1.8350    1.8595 H   0  0  0  0  0
    0.8677    0.0912    2.6775 H   0  0  0  0  0
    2.8575   -1.1974    1.4926 H   0  0  0  0  0
    2.6931   -0.7321   -1.1086 H   0  0  0  0  0
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    4.3831    3.8647   -2.5387 H   0  0  0  0  0
    3.7979    2.7981   -3.8304 H   0  0  0  0  0
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    7.3818    1.6997   -2.9961 H   0  0  0  0  0
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    6.1828    0.7377   -4.9469 H   0  0  0  0  0
    8.6120    0.5014   -5.3337 H   0  0  0  0  0
    9.1746    1.9625   -4.4799 H   0  0  0  0  0
   10.0654    2.9235   -6.4544 H   0  0  0  0  0
   10.3729    1.2110   -6.7845 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2683528

>  <PubChem CID>
67496049

>  <Formula>
C28H39N3O2

>  <Molecular Weight>
449.639000

>  <IUPAC Name>
(1R,2R,3R,4S)-3-N-[(2,5-dimethylphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=C(C=C1)C)CNC(=O)C2C3C=CC(C2C(=O)NCCCCN4CCCC4)C35CC5

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)C)CNC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)NCCCCN4CCCC4)C35CC5

>  <InChI Std. ID>
InChI=1S/C28H39N3O2/c1-19-7-8-20(2)21(17-19)18-30-27(33)25-23-10-9-22(28(23)11-12-28)24(25)26(32)29-13-3-4-14-31-15-5-6-16-31/h7-10,17,22-25H,3-6,11-16,18H2,1-2H3,(H,29,32)(H,30,33)/t22-,23+,24-,25-/m1/s1

>  <InChI Key>
ARCXDGPPQNKKNF-ZFFYZDHPSA-N

