
 CHEMBL440944

 56 60  0  0  0  0  0  0  0  0999 V2000
   -0.0656   -0.7643   -4.5305 C   0  0  0  0  0
    1.3649   -0.8057   -4.8388 N   0  0  0  0  0
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    4.7589    2.3792   -2.7641 O   0  0  0  0  0
    7.7159    2.2118   -2.4265 C   0  0  0  0  0
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    2.8507   -2.0822   -1.9676 H   0  0  0  0  0
    1.3986   -1.1669   -2.0133 H   0  0  0  0  0
    3.0213   -2.0297   -4.4683 H   0  0  0  0  0
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    6.6788    4.1193   -2.3869 H   0  0  0  0  0
    8.7406    5.4455   -2.0410 H   0  0  0  0  0
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  4  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL440944

>  <PubChem CID>
44409191

>  <Formula>
C24H26ClN3O2

>  <Molecular Weight>
423.941000

>  <IUPAC Name>
(1R)-1-(4-chlorophenoxy)-9-methyl-3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-carbazol-4-one

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCN(CC1)C2CC(C3=C(C2=O)C4=CC=CC=C4N3C)OC5=CC=C(C=C5)Cl

>  <Isomeric SMILES>
CN1CCN(CC1)C2C[C@H](C3=C(C2=O)C4=CC=CC=C4N3C)OC5=CC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C24H26ClN3O2/c1-26-11-13-28(14-12-26)20-15-21(30-17-9-7-16(25)8-10-17)23-22(24(20)29)18-5-3-4-6-19(18)27(23)2/h3-10,20-21H,11-15H2,1-2H3/t20?,21-/m1/s1

>  <InChI Key>
BUBAWRGTUJWAJK-BPGUCPLFSA-N

