General Information of the Compound
| Compound ID |
CP0900046
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| Compound Name |
(S)-2-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)piperidine-1-carbonyl)-4H-chromen-4-one trifluoroacetate
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| Structure |
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| Formula |
C24H21F6N3O6
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| Molecular Weight |
561.435
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| Canonical SMILES |
NCc1cc(O[C@H]2CCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H20F3N3O4.C2HF3O2/c23-22(24,25)19-8-13(11-26)9-20(27-19)31-14-4-3-7-28(12-14)21(30)18-10-16(29)15-5-1-2-6-17(15)32-18;3-2(4,5)1(6)7/h1-2,5-6,8-10,14H,3-4,7,11-12,26H2;(H,6,7)/t14-;/m0./s1
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| InChIKey |
NBGMILYGLLIJQG-UQKRIMTDSA-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