General Information of the Compound
| Compound ID |
CP0560119
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| Compound Name |
2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]acetamide;formic acid
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| Structure |
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| Formula |
C20H22N6O4
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| Molecular Weight |
410.434
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| Canonical SMILES |
OC=O.NC(=O)COc1cc(NCc2nc(c[nH]2)-c2ccccc2)ccc1C(N)=N
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| InChI |
InChI=1S/C19H20N6O2.CH2O2/c20-17(26)11-27-16-8-13(6-7-14(16)19(21)22)23-10-18-24-9-15(25-18)12-4-2-1-3-5-12;2-1-3/h1-9,23H,10-11H2,(H2,20,26)(H3,21,22)(H,24,25);1H,(H,2,3)
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| InChIKey |
CPSGQMHVWQOVJF-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