General Information of the Compound
| Compound ID |
CP0512805
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| Compound Name |
3-ethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-indol-2-one
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| Structure |
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| Formula |
C25H30F3N3O
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| Molecular Weight |
445.529
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| Canonical SMILES |
CCC1(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C(=O)Nc2ccccc12
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| InChI |
InChI=1S/C25H30F3N3O/c1-2-24(21-10-3-4-11-22(21)29-23(24)32)12-5-6-13-30-14-16-31(17-15-30)20-9-7-8-19(18-20)25(26,27)28/h3-4,7-11,18H,2,5-6,12-17H2,1H3,(H,29,32)
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| InChIKey |
XYUHOLLIDTYVJU-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