General Information of the Compound
| Compound ID |
CP0431665
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| Compound Name |
3-methyl-4-[(2S)-1-[3-(2-methylpyrazol-3-yl)phenoxy]propan-2-yl]oxybenzonitrile
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| Structure |
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| Formula |
C21H21N3O2
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| Molecular Weight |
347.418
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| Canonical SMILES |
C[C@@H](COc1cccc(c1)-c1ccnn1C)Oc1ccc(cc1C)C#N
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| InChI |
InChI=1S/C21H21N3O2/c1-15-11-17(13-22)7-8-21(15)26-16(2)14-25-19-6-4-5-18(12-19)20-9-10-23-24(20)3/h4-12,16H,14H2,1-3H3/t16-/m0/s1
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| InChIKey |
IPMAECGFJWTQDT-INIZCTEOSA-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