
 CHEMBL557540

 65 69  0  0  0  0  0  0  0  0999 V2000
   -1.1405   -3.4570    2.4340 C   0  0  0  0  0
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    7.0423  -12.0456    0.9667 C   0  0  0  0  0
    5.8954  -11.6464    0.9897 O   0  0  0  0  0
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    1.4938   -3.9467    6.9170 C   0  0  0  0  0
    0.2223   -3.3694    6.6928 C   0  0  0  0  0
   -0.3278   -3.3371    5.3972 C   0  0  0  0  0
    0.4194   -3.8867    4.3527 C   0  0  0  0  0
   -0.9457    2.3167   -3.8338 Cl  0  0  0  0  0
   -1.1645   -3.6308    1.3412 H   0  0  0  0  0
   -1.2268   -2.3648    2.6153 H   0  0  0  0  0
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    4.0620   -5.7057    3.7370 H   0  0  0  0  0
    2.6311   -5.6863   -0.3795 H   0  0  0  0  0
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    4.8028   -8.9165   -0.7731 H   0  0  0  0  0
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    5.1856  -11.3382   -1.2255 H   0  0  0  0  0
    5.7723  -10.2794   -2.5100 H   0  0  0  0  0
    7.4013  -11.9798   -2.2243 H   0  0  0  0  0
    9.4221  -10.3363   -1.7953 H   0  0  0  0  0
    8.1254   -9.7331   -2.8513 H   0  0  0  0  0
    8.4487   -9.1167    0.1382 H   0  0  0  0  0
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    9.2892  -12.6856    3.0784 H   0  0  0  0  0
    3.2011   -4.9336    6.0101 H   0  0  0  0  0
    1.9077   -3.9652    7.9169 H   0  0  0  0  0
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   -1.2990   -2.8937    5.2219 H   0  0  0  0  0
    0.4152    2.1603   -3.9594 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 40  1  0  0  0
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  6  9  1  0  0  0
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 36 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL557540

>  <PubChem CID>
9983623

>  <Formula>
C28H29ClN4O3

>  <Molecular Weight>
505.015000

>  <IUPAC Name>
N-(9-methylcarbazol-3-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C2=C(C=C(C=C2)NC(=O)CN3CCC(CC3)N4C5=CC=CC=C5COC4=O)C6=CC=CC=C61.Cl

>  <Isomeric SMILES>
CN1C2=C(C=C(C=C2)NC(=O)CN3CCC(CC3)N4C5=CC=CC=C5COC4=O)C6=CC=CC=C61.Cl

>  <InChI Std. ID>
InChI=1S/C28H28N4O3.ClH/c1-30-25-9-5-3-7-22(25)23-16-20(10-11-26(23)30)29-27(33)17-31-14-12-21(13-15-31)32-24-8-4-2-6-19(24)18-35-28(32)34;/h2-11,16,21H,12-15,17-18H2,1H3,(H,29,33);1H

>  <InChI Key>
TXMICMPUWWUREW-UHFFFAOYSA-N

