General Information of the Compound
| Compound ID |
CP0426407
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| Compound Name |
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 |
C16H13F3N4O
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| Molecular Weight |
334.301
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| Canonical SMILES |
FC(F)(F)c1cc(n[nH]1)C(=O)N1CCc2[nH]c3ccccc3c2C1
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| InChI |
InChI=1S/C16H13F3N4O/c17-16(18,19)14-7-13(21-22-14)15(24)23-6-5-12-10(8-23)9-3-1-2-4-11(9)20-12/h1-4,7,20H,5-6,8H2,(H,21,22)
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| InChIKey |
CYJFSLPAOXEIFP-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