General Information of the Compound
| Compound ID |
CP0528487
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| Compound Name |
2-(1,3-oxazol-2-ylmethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide
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| Structure |
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| Formula |
C21H20N6O2
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| Molecular Weight |
388.431
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| Canonical SMILES |
NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCc1ncco1
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| InChI |
InChI=1S/C21H20N6O2/c22-21(23)16-7-6-15(10-18(16)29-13-20-24-8-9-28-20)25-12-19-26-11-17(27-19)14-4-2-1-3-5-14/h1-11,25H,12-13H2,(H3,22,23)(H,26,27)
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| InChIKey |
PDIQOEGNDMXZEB-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