
 CHEMBL453865

 65 69  0  0  0  0  0  0  0  0999 V2000
   -3.2494    3.3219   -1.0753 C   0  0  0  0  0
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    0.5382    1.7187   -9.3726 H   0  0  0  0  0
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   -2.5637   -1.6210  -13.4049 H   0  0  0  0  0
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    0.7464   -6.0895  -16.8589 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
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  3  4  2  0  0  0
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 37 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL453865

>  <PubChem CID>
44563125

>  <Formula>
C26H28N6O5

>  <Molecular Weight>
504.547000

>  <IUPAC Name>
N,N-dimethyl-3-[3-[2-[[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-2-oxobenzimidazol-1-yl]propanamide

>  <XlogP>
0.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C(=O)NC(=O)C12CC3=C(C2)C=C(C=C3)NC(=O)CN4C5=CC=CC=C5N(C4=O)CCC(=O)N(C)C

>  <Isomeric SMILES>
CN1C(=O)NC(=O)[C@]12CC3=C(C2)C=C(C=C3)NC(=O)CN4C5=CC=CC=C5N(C4=O)CCC(=O)N(C)C

>  <InChI Std. ID>
InChI=1S/C26H28N6O5/c1-29(2)22(34)10-11-31-19-6-4-5-7-20(19)32(25(31)37)15-21(33)27-18-9-8-16-13-26(14-17(16)12-18)23(35)28-24(36)30(26)3/h4-9,12H,10-11,13-15H2,1-3H3,(H,27,33)(H,28,35,36)/t26-/m1/s1

>  <InChI Key>
BFTBSLQNTXGFQQ-AREMUKBSSA-N

