General Information of the Compound
| Compound ID |
CP0509511
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| Compound Name |
2a-[4-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
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| Structure |
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| Formula |
C26H30F3N3O
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| Molecular Weight |
457.54
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| Canonical SMILES |
FC(F)(F)c1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
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| InChI |
InChI=1S/C26H30F3N3O/c27-26(28,29)20-9-1-2-11-22(20)32-17-15-31(16-18-32)14-4-3-12-25-13-6-8-19-7-5-10-21(23(19)25)30-24(25)33/h1-2,5,7,9-11H,3-4,6,8,12-18H2,(H,30,33)
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| InChIKey |
HYXNSCCPMMIWRC-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