
 CHEMBL469343

 59 64  0  0  0  0  0  0  0  0999 V2000
    0.8485    0.0083   -0.3348 C   0  0  0  0  0
    2.2894   -0.0542   -0.2327 N   0  0  0  0  0
    3.0161   -1.2138   -0.2135 C   0  0  0  0  0
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    5.4750    1.4566    0.1418 C   0  0  0  0  0
    3.6460    4.7816    0.0161 N   0  0  0  0  0
    2.3720    5.2773    0.3748 C   0  0  0  0  0
    2.0726    6.5872    0.4215 C   0  0  0  0  0
    3.0670    7.5394    0.1168 C   0  0  0  0  0
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    4.6897    5.7111   -0.3604 C   0  0  0  0  0
    5.8019    5.3911   -0.7748 O   0  0  0  0  0
    5.3144    8.4377   -0.5346 S   0  0  0  0  0
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    2.8709    8.8888    0.1954 N   0  0  0  0  0
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    5.1942   11.6286   -0.8319 C   0  0  0  0  0
    5.3169   13.0230   -0.7865 C   0  0  0  0  0
    4.4162   13.7759   -0.0387 C   0  0  0  0  0
    3.3901   13.1483    0.6600 C   0  0  0  0  0
    3.2687   11.7553    0.6113 C   0  0  0  0  0
    4.5710   15.4877    0.0184 Cl  0  0  0  0  0
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    5.8812   -2.2370    1.4013 C   0  0  0  0  0
    7.0193   -3.1663    1.4648 N   0  0  0  0  0
    8.2847   -2.5629    1.0396 C   0  0  0  0  0
    9.3242   -3.5397    1.5657 C   0  0  0  0  0
    8.6751   -4.1949    2.7783 C   0  0  0  0  0
    7.2658   -3.6235    2.8355 C   0  0  0  0  0
    0.4378   -1.0043   -0.3592 H   0  0  0  0  0
    0.5895    0.5369   -1.2553 H   0  0  0  0  0
    0.4633    0.5396    0.5395 H   0  0  0  0  0
    2.5355   -2.1803   -0.2986 H   0  0  0  0  0
    1.8301    2.7424   -0.2930 H   0  0  0  0  0
    6.0592    3.4846    0.3221 H   0  0  0  0  0
    6.4987    1.1098    0.2508 H   0  0  0  0  0
    1.6109    4.5631    0.6646 H   0  0  0  0  0
    1.0860    6.9293    0.7140 H   0  0  0  0  0
    5.9094   11.0751   -1.4362 H   0  0  0  0  0
    6.1162   13.5106   -1.3389 H   0  0  0  0  0
    2.6819   13.7305    1.2435 H   0  0  0  0  0
    2.4595   11.2784    1.1635 H   0  0  0  0  0
    6.3570   -1.3869   -0.5486 H   0  0  0  0  0
    5.2484   -2.7485   -0.6085 H   0  0  0  0  0
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    9.5537   -4.3026    0.8123 H   0  0  0  0  0
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    6.5392   -4.3788    3.1517 H   0  0  0  0  0
    7.2363   -2.7919    3.5513 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
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  8  9  1  0  0  0
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  9 40  1  0  0  0
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 34 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL469343

>  <PubChem CID>
44592169

>  <Formula>
C27H25ClN4OS

>  <Molecular Weight>
489.034000

>  <IUPAC Name>
2-(4-chlorophenyl)-5-[1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-yl]-[1,3]thiazolo[5,4-c]pyridin-4-one

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C=C(C2=C1C=C(C=C2)N3C=CC4=C(C3=O)SC(=N4)C5=CC=C(C=C5)Cl)CCN6CCCC6

>  <Isomeric SMILES>
CN1C=C(C2=C1C=C(C=C2)N3C=CC4=C(C3=O)SC(=N4)C5=CC=C(C=C5)Cl)CCN6CCCC6

>  <InChI Std. ID>
InChI=1S/C27H25ClN4OS/c1-30-17-19(10-14-31-12-2-3-13-31)22-9-8-21(16-24(22)30)32-15-11-23-25(27(32)33)34-26(29-23)18-4-6-20(28)7-5-18/h4-9,11,15-17H,2-3,10,12-14H2,1H3

>  <InChI Key>
AAMWNCYHHIFEER-UHFFFAOYSA-N

