
 CHEMBL3588863

 59 62  0  0  0  0  0  0  0  0999 V2000
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    4.3056   -5.1932   -7.5186 O   0  0  0  0  0
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    4.0673   -9.6441  -11.0989 C   0  0  0  0  0
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    3.6769  -12.7435  -13.5906 Cl  0  0  0  0  0
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    3.7536   -0.8480    1.9039 C   0  0  0  0  0
    3.0488   -0.0062    2.4501 O   0  0  0  0  0
    4.7989   -1.6844    2.6370 C   0  0  0  0  0
    4.3186   -2.0673    3.9751 N   0  0  0  0  0
    4.3117    1.1153   -0.7608 H   0  0  0  0  0
    3.1354    1.5541    0.4645 H   0  0  0  0  0
    2.6469    1.5215   -1.2348 H   0  0  0  0  0
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    0.7229   -0.3603   -0.7404 H   0  0  0  0  0
    4.1560   -1.1112   -1.9724 H   0  0  0  0  0
    2.4902   -0.6194   -2.4747 H   0  0  0  0  0
    3.6084   -3.6825   -6.0346 H   0  0  0  0  0
    2.3004   -6.6441   -3.1959 H   0  0  0  0  0
    2.1552   -4.9230   -1.4904 H   0  0  0  0  0
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    5.1134   -2.3181    4.5594 H   0  0  0  0  0
  1  2  1  0  0  0
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  5  6  1  0  0  0
  6  7  2  0  0  0
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  7  8  1  0  0  0
  7 28  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3588863

>  <PubChem CID>
46187172

>  <Formula>
C24H25ClN4O5

>  <Molecular Weight>
484.937000

>  <IUPAC Name>
[1-[4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)(COC1=C(C=C(C=C1)N2CC3=CN(N=C3C2=O)C4=CC=C(C=C4)Cl)OC)OC(=O)CN

>  <Isomeric SMILES>
CC(C)(COC1=C(C=C(C=C1)N2CC3=CN(N=C3C2=O)C4=CC=C(C=C4)Cl)OC)OC(=O)CN

>  <InChI Std. ID>
InChI=1S/C24H25ClN4O5/c1-24(2,34-21(30)11-26)14-33-19-9-8-18(10-20(19)32-3)28-12-15-13-29(27-22(15)23(28)31)17-6-4-16(25)5-7-17/h4-10,13H,11-12,14,26H2,1-3H3

>  <InChI Key>
FRJWIYWKCXHSBG-UHFFFAOYSA-N

