General Information of the Compound
| Compound ID |
CP0539517
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| Compound Name |
2-ethoxy-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;formic acid
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| Structure |
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| Formula |
C20H23N5O3
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| Molecular Weight |
381.436
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| Canonical SMILES |
OC=O.CCOc1cc(NCc2nc(c[nH]2)-c2ccccc2)ccc1C(N)=N
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| InChI |
InChI=1S/C19H21N5O.CH2O2/c1-2-25-17-10-14(8-9-15(17)19(20)21)22-12-18-23-11-16(24-18)13-6-4-3-5-7-13;2-1-3/h3-11,22H,2,12H2,1H3,(H3,20,21)(H,23,24);1H,(H,2,3)
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| InChIKey |
HBIMCLFIFARZGV-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