General Information of the Compound
| Compound ID |
CP0874414
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| Compound Name |
cyano(6-methoxynaphthalen-2-yl)methyl 2,2,3,3-tetramethylcyclopropanecarboxylate
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| Structure |
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| Formula |
C21H23NO3
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| Molecular Weight |
337.419
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| Canonical SMILES |
COc1ccc2cc(C(C#N)OC(=O)C3C(C)(C)C3(C)C)ccc2c1
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| InChI |
InChI=1S/C21H23NO3/c1-20(2)18(21(20,3)4)19(23)25-17(12-22)15-7-6-14-11-16(24-5)9-8-13(14)10-15/h6-11,17-18H,1-5H3
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| InChIKey |
HFKPOCTYSDDQOG-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