
 CHEMBL1689054

 74 77  0  0  0  0  0  0  0  0999 V2000
    7.5490    3.5591    3.5678 C   0  0  0  0  0
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    8.0236    1.7353    2.6920 H   0  0  0  0  0
    9.1784    2.9938    2.2976 H   0  0  0  0  0
    5.3878    2.8576    1.8598 H   0  0  0  0  0
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    7.8579   -2.0045    0.0801 H   0  0  0  0  0
    9.5538   -2.2701    0.5483 H   0  0  0  0  0
    9.0940   -0.6499   -5.4625 H   0  0  0  0  0
   10.0140   -2.1095   -5.1254 H   0  0  0  0  0
   10.6098   -0.9598   -6.3227 H   0  0  0  0  0
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    7.7816    4.1881   -7.6648 H   0  0  0  0  0
    9.8195    3.8534   -6.3238 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1689054

>  <PubChem CID>
136188841

>  <Formula>
C29H38N4O3

>  <Molecular Weight>
490.648000

>  <IUPAC Name>
(5R)-N-[3-(3,4-dimethoxyphenyl)pentan-3-yl]-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC(CC)(C1=CC(=C(C=C1)OC)OC)NC(=O)C2=C3NC(CC(N3N=C2C)(C)C)C4=CC=CC=C4

>  <Isomeric SMILES>
CCC(CC)(C1=CC(=C(C=C1)OC)OC)NC(=O)C2=C3N[C@H](CC(N3N=C2C)(C)C)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C29H38N4O3/c1-8-29(9-2,21-15-16-23(35-6)24(17-21)36-7)31-27(34)25-19(3)32-33-26(25)30-22(18-28(33,4)5)20-13-11-10-12-14-20/h10-17,22,30H,8-9,18H2,1-7H3,(H,31,34)/t22-/m1/s1

>  <InChI Key>
BAUAQZIPWDODEP-JOCHJYFZSA-N

