General Information of the Compound
| Compound ID |
CP0426403
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| Compound Name |
(8-methoxy-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 |
C17H15F3N4O2
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| Molecular Weight |
364.327
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| Canonical SMILES |
COc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)c1cc([nH]n1)C(F)(F)F
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| InChI |
InChI=1S/C17H15F3N4O2/c1-26-9-2-3-12-10(6-9)11-8-24(5-4-13(11)21-12)16(25)14-7-15(23-22-14)17(18,19)20/h2-3,6-7,21H,4-5,8H2,1H3,(H,22,23)
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| InChIKey |
MZOJTZLUEMGZIG-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