General Information of the Compound
| Compound ID |
CP0448432
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| Compound Name |
1-(3,5-Bis-trifluoromethyl-benzyl)-5-(1H-indol-3-ylmethyl)-piperazine-2,3-dione
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| Structure |
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| Formula |
C22H17F6N3O2
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| Molecular Weight |
469.385
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| Canonical SMILES |
FC(F)(F)c1cc(CN2CC(Cc3c[nH]c4ccccc34)NC(=O)C2=O)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H17F6N3O2/c23-21(24,25)14-5-12(6-15(8-14)22(26,27)28)10-31-11-16(30-19(32)20(31)33)7-13-9-29-18-4-2-1-3-17(13)18/h1-6,8-9,16,29H,7,10-11H2,(H,30,32)
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| InChIKey |
GMJLNKOCKKKDLK-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