General Information of the Compound
| Compound ID |
CP0530147
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| Compound Name |
N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxybenzamide;formic acid
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| Structure |
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| Formula |
C15H14FN3O4
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| Molecular Weight |
319.292
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| Canonical SMILES |
OC=O.NC(=N)c1ccc(NC(=O)c2ccccc2O)cc1F
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| InChI |
InChI=1S/C14H12FN3O2.CH2O2/c15-11-7-8(5-6-9(11)13(16)17)18-14(20)10-3-1-2-4-12(10)19;2-1-3/h1-7,19H,(H3,16,17)(H,18,20);1H,(H,2,3)
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| InChIKey |
DIMBFBYINLKJDR-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