General Information of the Compound
| Compound ID |
CP0378597
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| Compound Name |
2-[1-benzyl-5-[3,5-bis(trifluoromethyl)phenyl]indol-3-yl]acetamide
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| Structure |
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| Formula |
C25H18F6N2O
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| Molecular Weight |
476.42
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| Canonical SMILES |
NC(=O)Cc1cn(Cc2ccccc2)c2ccc(cc12)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H18F6N2O/c26-24(27,28)19-8-17(9-20(12-19)25(29,30)31)16-6-7-22-21(10-16)18(11-23(32)34)14-33(22)13-15-4-2-1-3-5-15/h1-10,12,14H,11,13H2,(H2,32,34)
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| InChIKey |
NAPDYQKBCFVQDS-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