General Information of the Compound
| Compound ID |
CP0401562
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| Compound Name |
1-(3,5-Bis-trifluoromethyl-benzyl)-5-(1H-indol-3-ylmethyl)-piperazin-2-one
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| Structure |
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| Formula |
C22H19F6N3O
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| Molecular Weight |
455.402
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| Canonical SMILES |
FC(F)(F)c1cc(CN2CC(Cc3c[nH]c4ccccc34)NCC2=O)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H19F6N3O/c23-21(24,25)15-5-13(6-16(8-15)22(26,27)28)11-31-12-17(29-10-20(31)32)7-14-9-30-19-4-2-1-3-18(14)19/h1-6,8-9,17,29-30H,7,10-12H2
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| InChIKey |
XHBXPLNFUMURDR-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