General Information of the Compound
| Compound ID |
CP0546144
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| Compound Name |
[5-(trifluoromethyl)-1H-pyrazol-3-yl]-[8-(trifluoromethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]methanone
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| Formula |
C17H12F6N4O
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| Molecular Weight |
402.298
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| Canonical SMILES |
FC(F)(F)c1cc(n[nH]1)C(=O)N1CCc2[nH]c3ccc(cc3c2C1)C(F)(F)F
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| InChI |
InChI=1S/C17H12F6N4O/c18-16(19,20)8-1-2-11-9(5-8)10-7-27(4-3-12(10)24-11)15(28)13-6-14(26-25-13)17(21,22)23/h1-2,5-6,24H,3-4,7H2,(H,25,26)
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| InChIKey |
SXXCAIPQHLVZJH-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