General Information of the Compound
| Compound ID |
CP0533407
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| Compound Name |
[6-fluoro-8-(trifluoromethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
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| Structure |
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| Formula |
C17H11F7N4O
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| Molecular Weight |
420.288
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| Canonical SMILES |
Fc1cc(cc2c3CN(CCc3[nH]c12)C(=O)c1cc([nH]n1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C17H11F7N4O/c18-10-4-7(16(19,20)21)3-8-9-6-28(2-1-11(9)25-14(8)10)15(29)12-5-13(27-26-12)17(22,23)24/h3-5,25H,1-2,6H2,(H,26,27)
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| InChIKey |
GBXCFWVSZKMKGA-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