General Information of the Compound
| Compound ID |
CP0437192
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| Compound Name |
3-ethyl-5-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one
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| Structure |
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| Formula |
C24H29F2N3O
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| Molecular Weight |
413.512
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| Canonical SMILES |
CCC1(CCCCN2CCN(CC2)c2ccc(F)cc2)C(=O)Nc2ccc(F)cc12
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| InChI |
InChI=1S/C24H29F2N3O/c1-2-24(21-17-19(26)7-10-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30)
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| InChIKey |
YJURYHIWIQYURK-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