General Information of the Compound
| Compound ID |
CP0415993
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| Compound Name |
N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-3-methoxybenzamide;formic acid
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| Structure |
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| Formula |
C16H16FN3O5
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| Molecular Weight |
349.318
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| Canonical SMILES |
OC=O.COc1cccc(C(=O)Nc2ccc(C(N)=N)c(F)c2)c1O
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| InChI |
InChI=1S/C15H14FN3O3.CH2O2/c1-22-12-4-2-3-10(13(12)20)15(21)19-8-5-6-9(14(17)18)11(16)7-8;2-1-3/h2-7,20H,1H3,(H3,17,18)(H,19,21);1H,(H,2,3)
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| InChIKey |
XQCPHJQKEMSXFO-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