
 CHEMBL274922

 70 74  0  0  0  0  0  0  0  0999 V2000
   11.8587   -9.4407  -11.3853 C   0  0  0  0  0
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    2.7123   -7.8973   -3.1282 H   0  0  0  0  0
    1.1953   -6.0735   -2.9770 H   0  0  0  0  0
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    3.5601   -5.6849   -2.5661 H   0  0  0  0  0
    3.7830   -4.6973   -5.4575 H   0  0  0  0  0
    5.0347   -4.7576   -4.2085 H   0  0  0  0  0
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   12.1422   -3.9857  -10.4138 H   0  0  0  0  0
   11.6034   -3.9083   -8.7315 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL274922

>  <PubChem CID>
10529106

>  <Formula>
C27H34N6O3

>  <Molecular Weight>
490.608000

>  <IUPAC Name>
3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCC(CC3)C4=CNC5=C4C=C(C=C5)C(=O)N)OC

>  <Isomeric SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCC(CC3)C4=CNC5=C4C=C(C=C5)C(=O)N)OC

>  <InChI Std. ID>
InChI=1S/C27H34N6O3/c1-31-11-13-32(14-12-31)24-16-20(4-6-25(24)36-2)30-27(35)33-9-7-18(8-10-33)22-17-29-23-5-3-19(26(28)34)15-21(22)23/h3-6,15-18,29H,7-14H2,1-2H3,(H2,28,34)(H,30,35)

>  <InChI Key>
BWSZPXLKWNGQFZ-UHFFFAOYSA-N

