General Information of the Compound
| Compound ID |
CP0394325
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| Compound Name |
2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-phenylcarbonimidoyl]-5-methoxyphenol
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| Formula |
C20H21N3O2
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| Molecular Weight |
335.407
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| Canonical SMILES |
COc1ccc(\C(=N\[C@H](C)Cc2cnc[nH]2)c2ccccc2)c(O)c1
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| InChI |
InChI=1S/C20H21N3O2/c1-14(10-16-12-21-13-22-16)23-20(15-6-4-3-5-7-15)18-9-8-17(25-2)11-19(18)24/h3-9,11-14,24H,10H2,1-2H3,(H,21,22)/b23-20+/t14-/m1/s1
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| InChIKey |
DTSKKOAXZKYXSY-RABPHWAWSA-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