General Information of the Compound
| Compound ID |
CP0903353
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| Compound Name |
2-(7-((S)-3-hydroxypiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)-N-((S)-1-(4-(trifluoromethoxy)phenyl)ethyl)acetamide
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| Structure |
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| Formula |
C22H24F3N5O4
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| Molecular Weight |
479.459
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2cc(N3CCC[C@H](O)C3)ccn2c1=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C22H24F3N5O4/c1-14(15-4-6-18(7-5-15)34-22(23,24)25)26-20(32)13-30-21(33)29-10-8-16(11-19(29)27-30)28-9-2-3-17(31)12-28/h4-8,10-11,14,17,31H,2-3,9,12-13H2,1H3,(H,26,32)/t14-,17-/m0/s1
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| InChIKey |
FPKMDSYENNGYGH-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