General Information of the Compound
| Compound ID |
CP0557954
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| Compound Name |
6-methyl-N-[7-methyl-8-[(2S,4S)-2-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butanoyl]piperidin-4-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C25H26F6N6O3
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| Molecular Weight |
572.51
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| Canonical SMILES |
C[C@H]1C[C@H](CCN1C(=O)CC(C(F)(F)F)C(F)(F)F)Oc1c(C)c(NC(=O)c2ccc(C)nc2)cn2ncnc12
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| InChI |
InChI=1S/C25H26F6N6O3/c1-13-4-5-16(10-32-13)23(39)35-18-11-37-22(33-12-34-37)21(15(18)3)40-17-6-7-36(14(2)8-17)20(38)9-19(24(26,27)28)25(29,30)31/h4-5,10-12,14,17,19H,6-9H2,1-3H3,(H,35,39)/t14-,17-/m0/s1
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| InChIKey |
FUKNWBDJYWPXRK-YOEHRIQHSA-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