
 SCHEMBL2682752

 61 65  0  0  0  0  0  0  0  0999 V2000
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    6.3865    3.6722   -0.5917 H   0  0  0  0  0
    6.9206    3.6980    1.0903 H   0  0  0  0  0
    9.0596    2.6099    0.4890 H   0  0  0  0  0
    8.6080    2.6142   -1.2162 H   0  0  0  0  0
    6.6079    1.1956   -0.6960 H   0  0  0  0  0
    7.0778    1.1708    1.0048 H   0  0  0  0  0
    7.8115   -0.9011   -0.0615 H   0  0  0  0  0
    9.2427    0.0359    0.3849 H   0  0  0  0  0
    8.5917    0.6978   -2.2800 H   0  0  0  0  0
    9.0321   -0.9914   -4.1458 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2682752

>  <PubChem CID>
87422067

>  <Formula>
C23H30ClN5O2

>  <Molecular Weight>
443.976000

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

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(C1)CCCCNC(=O)C2C3C=CC(C2C(=O)NC4=CN=C(N=C4)Cl)C35CC5

>  <Isomeric SMILES>
C1CCN(C1)CCCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)NC4=CN=C(N=C4)Cl)C35CC5

>  <InChI Std. ID>
InChI=1S/C23H30ClN5O2/c24-22-26-13-15(14-27-22)28-21(31)19-17-6-5-16(23(17)7-8-23)18(19)20(30)25-9-1-2-10-29-11-3-4-12-29/h5-6,13-14,16-19H,1-4,7-12H2,(H,25,30)(H,28,31)/t16-,17+,18-,19-/m1/s1

>  <InChI Key>
AACGGNAFRLCLCY-FCGDIQPGSA-N

