General Information of the Compound
| Compound ID |
CP0475293
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| Compound Name |
(4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
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| Structure |
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| Formula |
C26H21F3N2O2
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| Molecular Weight |
450.46
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| Canonical SMILES |
COc1ccc(cc1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H21F3N2O2/c1-33-19-12-8-17(9-13-19)25(32)31-15-14-21-20-4-2-3-5-22(20)30-23(21)24(31)16-6-10-18(11-7-16)26(27,28)29/h2-13,24,30H,14-15H2,1H3
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| InChIKey |
NPJYCDNFRPNSQU-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