
 SCHEMBL2683850

 46 50  0  0  0  0  0  0  0  0999 V2000
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    1.6166   -1.4457    2.4837 C   0  0  0  0  0
    1.8545   -2.5310    1.9578 O   0  0  0  0  0
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    1.4989   -0.3167    4.8138 C   0  0  0  0  0
    0.4798   -1.3546    5.2740 C   0  0  0  0  0
    1.1554   -2.3045    5.9494 C   0  0  0  0  0
    2.6279   -1.9040    5.9418 C   0  0  0  0  0
    3.1145   -2.1287    4.4713 C   0  0  0  0  0
    4.6302   -2.0347    4.3991 C   0  0  0  0  0
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    8.2538   -2.2452    1.1075 C   0  0  0  0  0
    6.9082   -2.3386    1.4874 C   0  0  0  0  0
   11.0137   -1.6266    1.4993 Br  0  0  0  0  0
    2.4859   -0.3949    5.9506 C   0  0  0  0  0
    3.5770    0.6063    6.2235 C   0  0  0  0  0
    2.4318    0.4420    7.1999 C   0  0  0  0  0
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    2.6500   -0.0378    8.1478 H   0  0  0  0  0
    1.6983    1.2365    7.2601 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2683850

>  <PubChem CID>
67496239

>  <Formula>
C20H21BrN2O2

>  <Molecular Weight>
401.304000

>  <IUPAC Name>
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-cyclopropylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC1NC(=O)C2C3C=CC(C2C(=O)NC4=CC=C(C=C4)Br)C35CC5

>  <Isomeric SMILES>
C1CC1NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)NC4=CC=C(C=C4)Br)C35CC5

>  <InChI Std. ID>
InChI=1S/C20H21BrN2O2/c21-11-1-3-12(4-2-11)22-18(24)16-14-7-8-15(20(14)9-10-20)17(16)19(25)23-13-5-6-13/h1-4,7-8,13-17H,5-6,9-10H2,(H,22,24)(H,23,25)/t14-,15+,16+,17+/m0/s1

>  <InChI Key>
ACRIATSTVBULTF-YLFCFFPRSA-N

