General Information of the Compound
| Compound ID |
CP0422072
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| Compound Name |
3-ethyl-3-[4-[4-(2-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)c2ccccc2OC)C(=O)Nc2ccccc12
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| InChI |
InChI=1S/C25H33N3O2/c1-3-25(20-10-4-5-11-21(20)26-24(25)29)14-8-9-15-27-16-18-28(19-17-27)22-12-6-7-13-23(22)30-2/h4-7,10-13H,3,8-9,14-19H2,1-2H3,(H,26,29)
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| InChIKey |
QOLSSOMCERQWLI-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