General Information of the Compound
| Compound ID |
CP0472795
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| Compound Name |
3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one
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| Structure |
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| Formula |
C23H30N4O
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| Molecular Weight |
378.52
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| Canonical SMILES |
CCC1(CCCCN2CCN(CC2)c2ccccn2)C(=O)Nc2ccccc12
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| InChI |
InChI=1S/C23H30N4O/c1-2-23(19-9-3-4-10-20(19)25-22(23)28)12-6-8-14-26-15-17-27(18-16-26)21-11-5-7-13-24-21/h3-5,7,9-11,13H,2,6,8,12,14-18H2,1H3,(H,25,28)
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| InChIKey |
GJFQGLPQMKBZRD-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