General Information of the Compound
| Compound ID |
CP0449167
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| Compound Name |
1-(3,5-Bis-trifluoromethyl-benzyl)-3-(1H-indol-3-ylmethyl)-pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C22H16F6N2O2
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| Molecular Weight |
454.37
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| Canonical SMILES |
FC(F)(F)c1cc(CN2C(=O)CC(Cc3c[nH]c4ccccc34)C2=O)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H16F6N2O2/c23-21(24,25)15-5-12(6-16(9-15)22(26,27)28)11-30-19(31)8-13(20(30)32)7-14-10-29-18-4-2-1-3-17(14)18/h1-6,9-10,13,29H,7-8,11H2
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| InChIKey |
UCCMAXPLSJKRBQ-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