
 CHEMBL1089207

 58 64  0  0  0  0  0  0  0  0999 V2000
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    3.6253    2.9917  -13.0712 C   0  0  0  0  0
    4.2183    3.7647  -14.0705 C   0  0  0  0  0
    5.1547    3.1864  -14.9116 C   0  0  0  0  0
    5.4752    1.8606  -14.6995 C   0  0  0  0  0
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    0.4828   -0.4980    0.4204 H   0  0  0  0  0
    5.1092   -0.5866    1.2078 H   0  0  0  0  0
    4.1754    1.7756   -2.3314 H   0  0  0  0  0
    2.5394    1.9729   -1.6483 H   0  0  0  0  0
    2.2229    2.9426   -4.3381 H   0  0  0  0  0
    0.8220    2.4876   -8.6761 H   0  0  0  0  0
    2.1923   -1.9494   -5.2202 H   0  0  0  0  0
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    5.6227    3.7530  -15.7081 H   0  0  0  0  0
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  1  2  1  0  0  0
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  2  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1089207

>  <PubChem CID>
16745090

>  <Formula>
C27H21N7O3

>  <Molecular Weight>
491.511000

>  <IUPAC Name>
1'-methyl-3-[(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoxaline-7,5'-imidazolidine]-2',4'-dione

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1C(=O)NC(=O)C12CC3=CC4=NC=C(N=C4C=C3C2)CN5C6=CC=CC=C6N(C5=O)C7=CC=CC=N7

>  <Isomeric SMILES>
CN1C(=O)NC(=O)C12CC3=CC4=NC=C(N=C4C=C3C2)CN5C6=CC=CC=C6N(C5=O)C7=CC=CC=N7

>  <InChI Std. ID>
InChI=1S/C27H21N7O3/c1-32-25(36)31-24(35)27(32)12-16-10-19-20(11-17(16)13-27)30-18(14-29-19)15-33-21-6-2-3-7-22(21)34(26(33)37)23-8-4-5-9-28-23/h2-11,14H,12-13,15H2,1H3,(H,31,35,36)

>  <InChI Key>
CAJFPJMWJFYMRU-UHFFFAOYSA-N

