General Information of the Compound
| Compound ID |
CP0473980
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| Compound Name |
N-(4-carbamimidoylphenyl)-2,3-dihydroxybenzamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C16H14F3N3O5
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| Molecular Weight |
385.298
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| Canonical SMILES |
OC(=O)C(F)(F)F.NC(=N)c1ccc(NC(=O)c2cccc(O)c2O)cc1
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| InChI |
InChI=1S/C14H13N3O3.C2HF3O2/c15-13(16)8-4-6-9(7-5-8)17-14(20)10-2-1-3-11(18)12(10)19;3-2(4,5)1(6)7/h1-7,18-19H,(H3,15,16)(H,17,20);(H,6,7)
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| InChIKey |
FVCUSIQWWPRWRK-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
Protein ID: PT01859, Kallikrein-1
Protein ID: PT02568, Kallikrein-5