
 CHEMBL3675727

 92 95  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3675727

>  <PubChem CID>
86766088

>  <Formula>
C33H51N5O2Si

>  <Molecular Weight>
577.889000

>  <IUPAC Name>
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[4-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]piperazin-1-yl]propan-2-ol

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)C=CCN4CCN(CC4)CC(CO[Si](C)(C)C(C)(C)C)O)C)C

>  <Isomeric SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)/C=C/CN4CCN(CC4)C[C@H](CO[Si](C)(C)C(C)(C)C)O)C)C

>  <InChI Std. ID>
InChI=1S/C33H51N5O2Si/c1-9-31-30(32-34-25(2)21-26(3)38(32)35-31)22-28-14-12-27(13-15-28)11-10-16-36-17-19-37(20-18-36)23-29(39)24-40-41(7,8)33(4,5)6/h10-15,21,29,39H,9,16-20,22-24H2,1-8H3/b11-10+/t29-/m1/s1

>  <InChI Key>
WCFXFXUDOPZAGD-WBKPCLEFSA-N

