
 CHEMBL3670933

 79 82  0  0  0  0  0  0  0  0999 V2000
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   -5.4170   -3.6323    0.5020 H   0  0  0  0  0
   -6.3790   -2.0856   -1.9583 H   0  0  0  0  0
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   -7.6262   -7.8330    1.8289 H   0  0  0  0  0
   -9.2044   -8.6349    1.6490 H   0  0  0  0  0
  -10.1545   -6.3390   -0.5376 H   0  0  0  0  0
  -10.5827   -8.0579   -0.6107 H   0  0  0  0  0
   -9.6844   -7.2856   -1.9372 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3670933

>  <PubChem CID>
68379124

>  <Formula>
C30H42N4O3

>  <Molecular Weight>
506.691000

>  <IUPAC Name>
tert-butyl 4-[3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]propyl]-4-hydroxypiperidine-1-carboxylate

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)CCCC4(CCN(CC4)C(=O)OC(C)(C)C)O)C)C

>  <Isomeric SMILES>
CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)CCCC4(CCN(CC4)C(=O)OC(C)(C)C)O)C)C

>  <InChI Std. ID>
InChI=1S/C30H42N4O3/c1-7-26-25(27-31-21(2)19-22(3)34(27)32-26)20-24-12-10-23(11-13-24)9-8-14-30(36)15-17-33(18-16-30)28(35)37-29(4,5)6/h10-13,19,36H,7-9,14-18,20H2,1-6H3

>  <InChI Key>
JNYMFWUBRIAGIH-UHFFFAOYSA-N

