
 CHEMBL257405

 65 69  0  0  0  0  0  0  0  0999 V2000
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    8.4921   -5.8396    1.9219 Si  0  0  0  0  0
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    9.2104   -6.6869    3.4337 C   0  0  0  0  0
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    9.8405   -1.7780   -6.1732 H   0  0  0  0  0
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    8.8510    2.5366   10.0006 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL257405

>  <PubChem CID>
44449058

>  <Formula>
C25H29ClN6O3Si

>  <Molecular Weight>
525.081000

>  <IUPAC Name>
(1S,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-(2-trimethylsilylethynyl)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CNC(=O)C12CC1C(C(C2O)O)N3C=NC4=C3N=C(N=C4NCC5=CC(=CC=C5)Cl)C#C[Si](C)(C)C

>  <Isomeric SMILES>
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C3N=C(N=C4NCC5=CC(=CC=C5)Cl)C#C[Si](C)(C)C

>  <InChI Std. ID>
InChI=1S/C25H29ClN6O3Si/c1-27-24(35)25-11-16(25)19(20(33)21(25)34)32-13-29-18-22(28-12-14-6-5-7-15(26)10-14)30-17(31-23(18)32)8-9-36(2,3)4/h5-7,10,13,16,19-21,33-34H,11-12H2,1-4H3,(H,27,35)(H,28,30,31)/t16-,19-,20+,21+,25+/m1/s1

>  <InChI Key>
RDYPNVDYKVTREJ-YZSDQEEOSA-N

