
 CHEMBL519421

 68 72  0  0  0  0  0  0  0  0999 V2000
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    4.2447    3.4113   -0.5131 H   0  0  0  0  0
    4.0781    3.5884    1.2640 H   0  0  0  0  0
  1  2  1  0  0  0
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  2  3  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL519421

>  <PubChem CID>
44593445

>  <Formula>
C27H30N6O5

>  <Molecular Weight>
518.574000

>  <IUPAC Name>
2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=C2C(=C1)N(C(=O)N2CC(=O)N(C)C)CC(=O)NC3=CC4=C(CC5(C4)C(=O)NC(=O)N5C)C=C3)C

>  <Isomeric SMILES>
CC1=CC(=C2C(=C1)N(C(=O)N2CC(=O)N(C)C)CC(=O)NC3=CC4=C(C[C@@]5(C4)C(=O)NC(=O)N5C)C=C3)C

>  <InChI Std. ID>
InChI=1S/C27H30N6O5/c1-15-8-16(2)23-20(9-15)32(26(38)33(23)14-22(35)30(3)4)13-21(34)28-19-7-6-17-11-27(12-18(17)10-19)24(36)29-25(37)31(27)5/h6-10H,11-14H2,1-5H3,(H,28,34)(H,29,36,37)/t27-/m1/s1

>  <InChI Key>
BQHLHZHONFUTTC-HHHXNRCGSA-N

