General Information of the Compound
| Compound ID |
CP0386218
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| Compound Name |
3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-2-one
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| Structure |
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| Formula |
C25H33N3O2
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| Molecular Weight |
407.558
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| Canonical SMILES |
CCC1(CCCCN2CCN(CC2)c2cccc(OC)c2)C(=O)Nc2ccccc12
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| InChI |
InChI=1S/C25H33N3O2/c1-3-25(22-11-4-5-12-23(22)26-24(25)29)13-6-7-14-27-15-17-28(18-16-27)20-9-8-10-21(19-20)30-2/h4-5,8-12,19H,3,6-7,13-18H2,1-2H3,(H,26,29)
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| InChIKey |
ZBHUAHSLHYQJKX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound