
 CHEMBL1689055

 80 84  0  0  0  0  0  0  0  0999 V2000
    2.3288    0.3012   -1.6314 C   0  0  0  0  0
    2.4139    0.7800   -0.1837 C   0  0  0  0  0
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    0.6222    2.8521    1.7122 H   0  0  0  0  0
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    0.5749   -1.4152    6.3640 H   0  0  0  0  0
    0.6190    0.8682    5.4368 H   0  0  0  0  0
    4.2170    3.6516   -0.7404 H   0  0  0  0  0
    4.2952    3.8999   -2.7680 H   0  0  0  0  0
    4.6008    6.0562   -3.7467 H   0  0  0  0  0
    6.6028    6.7795   -2.9795 H   0  0  0  0  0
    6.9154    6.5893   -4.6899 H   0  0  0  0  0
    9.4551    1.2363   -0.6968 H   0  0  0  0  0
    7.9670    0.2865   -0.7793 H   0  0  0  0  0
    8.2348    1.4063    0.5758 H   0  0  0  0  0
    7.9698    3.8715   -5.1986 H   0  0  0  0  0
    9.5361    4.0348   -4.4242 H   0  0  0  0  0
    8.8805    5.3778   -5.3636 H   0  0  0  0  0
    8.5848    6.4107   -1.7277 H   0  0  0  0  0
    9.2485    6.9013   -3.2974 H   0  0  0  0  0
    9.9021    5.4906   -2.4552 H   0  0  0  0  0
    5.8492    2.6227   -4.6382 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1689055

>  <PubChem CID>
136141575

>  <Formula>
C34H40N4O2

>  <Molecular Weight>
536.720000

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

>  <XlogP>
7.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(CC)(C1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C3=C4NC(CC(N4N=C3C)(C)C)C5=CC=CC=C5

>  <Isomeric SMILES>
CCC(CC)(C1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C3=C4N[C@H](CC(N4N=C3C)(C)C)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C34H40N4O2/c1-6-34(7-2,27-18-20-28(21-19-27)40-23-25-14-10-8-11-15-25)36-32(39)30-24(3)37-38-31(30)35-29(22-33(38,4)5)26-16-12-9-13-17-26/h8-21,29,35H,6-7,22-23H2,1-5H3,(H,36,39)/t29-/m1/s1

>  <InChI Key>
AJDLQRPOENVLFJ-GDLZYMKVSA-N

