General Information of the Compound
| Compound ID |
CP0476762
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| Compound Name |
1-methyl-2-[[(2R,4R)-2-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]imidazo[4,5-b]pyridine
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| Structure |
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| Formula |
C21H23F3N4
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| Molecular Weight |
388.437
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| Canonical SMILES |
C[C@@H]1C[C@@H](CCN1Cc1nc2ncccc2n1C)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H23F3N4/c1-14-12-16(15-5-7-17(8-6-15)21(22,23)24)9-11-28(14)13-19-26-20-18(27(19)2)4-3-10-25-20/h3-8,10,14,16H,9,11-13H2,1-2H3/t14-,16-/m1/s1
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| InChIKey |
BOZVHERQYJVRDG-GDBMZVCRSA-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