
 CHEMBL3263660

 74 78  0  0  0  0  0  0  0  0999 V2000
    5.2265   -1.5770    1.5071 C   0  0  0  0  0
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    2.8867   -3.7395    1.1953 C   0  0  0  0  0
    1.8211   -4.0267    0.1102 C   0  0  0  0  0
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    4.3136   -1.1152    1.8955 H   0  0  0  0  0
    5.1083   -1.8074    0.4446 H   0  0  0  0  0
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   -3.9201   -6.5351   -2.7253 H   0  0  0  0  0
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   -4.9320   -9.7136   -2.8842 H   0  0  0  0  0
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   -7.3906   -9.5867   -6.2424 H   0  0  0  0  0
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    1.9919   -7.7610    0.7057 H   0  0  0  0  0
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    4.9526  -12.4000    1.4586 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 40  1  0  0  0
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 33 35  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3263660

>  <PubChem CID>
71233909

>  <Formula>
C30H35N5O4

>  <Molecular Weight>
529.641000

>  <IUPAC Name>
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]furan-3-carboxamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5=COC=C5

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5=COC=C5

>  <InChI Std. ID>
InChI=1S/C30H35N5O4/c1-22-6-2-3-7-26(22)33-15-17-34(18-16-33)27-10-9-23(20-25(27)32-30(38)24-11-19-39-21-24)29(37)31-12-5-14-35-13-4-8-28(35)36/h2-3,6-7,9-11,19-21H,4-5,8,12-18H2,1H3,(H,31,37)(H,32,38)

>  <InChI Key>
MDSPEQQNKNNVHR-UHFFFAOYSA-N

