General Information of the Compound
| Compound ID |
CP0961785
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| Compound Name |
methyl 3-(4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-ylcarbamoyl)benzoate trifluoroacetate
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| Structure |
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| Formula |
C18H15F6N3O5
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| Molecular Weight |
467.322
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| Canonical SMILES |
COC(=O)c1cccc(C(=O)Nc2cc(CN)cc(C(F)(F)F)n2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C16H14F3N3O3.C2HF3O2/c1-25-15(24)11-4-2-3-10(7-11)14(23)22-13-6-9(8-20)5-12(21-13)16(17,18)19;3-2(4,5)1(6)7/h2-7H,8,20H2,1H3,(H,21,22,23);(H,6,7)
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| InChIKey |
WKERMLVDJQPOAV-UHFFFAOYSA-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