General Information of the Compound
| Compound ID |
CP0909950
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| Compound Name |
(S)-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)(5-methyl-1,3,4-oxadiazol-2-yl)methanone trifluoroacetate
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| Structure |
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| Formula |
C18H19F6N5O5
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| Molecular Weight |
499.368
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| Canonical SMILES |
Cc1nnc(C(=O)N2CCC[C@H](Oc3cc(CN)cc(C(F)(F)F)n3)C2)o1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C16H18F3N5O3.C2HF3O2/c1-9-22-23-14(26-9)15(25)24-4-2-3-11(8-24)27-13-6-10(7-20)5-12(21-13)16(17,18)19;3-2(4,5)1(6)7/h5-6,11H,2-4,7-8,20H2,1H3;(H,6,7)/t11-;/m0./s1
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| InChIKey |
QKDSRSGPSZBJEH-MERQFXBCSA-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