General Information of the Compound
| Compound ID |
CP0867278
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| Compound Name |
N-(4-carbamimidoylphenyl)-3-chloro-2-hydroxybenzamide 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C16H13ClF3N3O4
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| Molecular Weight |
403.744
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| Canonical SMILES |
N=C(N)c1ccc(NC(=O)c2cccc(Cl)c2O)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C14H12ClN3O2.C2HF3O2/c15-11-3-1-2-10(12(11)19)14(20)18-9-6-4-8(5-7-9)13(16)17;3-2(4,5)1(6)7/h1-7,19H,(H3,16,17)(H,18,20);(H,6,7)
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| InChIKey |
WAEUQAZBHHOEQN-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