
 SCHEMBL1036626

 59 62  0  0  0  0  0  0  0  0999 V2000
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    3.2082    2.0449  -10.9302 N   0  0  0  0  0
    9.9725   -1.6234   -1.2315 H   0  0  0  0  0
    8.9272   -2.1214    0.1075 H   0  0  0  0  0
    8.5243   -0.6939   -0.8508 H   0  0  0  0  0
    8.6389   -3.5754   -1.8832 H   0  0  0  0  0
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    6.1049   -0.8344   -0.7577 H   0  0  0  0  0
    7.2370   -0.5002   -4.4436 H   0  0  0  0  0
    7.8100    0.0677   -2.8806 H   0  0  0  0  0
    7.6794   -2.7903   -3.9522 H   0  0  0  0  0
    9.1352   -1.8532   -3.6389 H   0  0  0  0  0
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    3.8624    1.6609  -11.5986 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1036626

>  <PubChem CID>
44252464

>  <Formula>
C23H27N5O3S

>  <Molecular Weight>
453.561000

>  <IUPAC Name>
N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC4=C(C=C3)C=CN4

>  <Isomeric SMILES>
CC1CCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC4=C(C=C3)C=CN4

>  <InChI Std. ID>
InChI=1S/C23H27N5O3S/c1-17-7-12-28(13-8-17)23(29)21(9-14-27-11-2-3-19(27)16-24)26-32(30,31)20-5-4-18-6-10-25-22(18)15-20/h2-6,10-11,15,17,21,25-26H,7-9,12-14H2,1H3

>  <InChI Key>
AFQNQMQRHXUWTJ-UHFFFAOYSA-N

