General Information of the Compound
| Compound ID |
CP0548981
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| Compound Name |
2-Cyclopentyl-N-[2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-acetamide
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| Structure |
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| Formula |
C20H19F6NO2
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| Molecular Weight |
419.365
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| Canonical SMILES |
OC(c1ccc2ccccc2c1NC(=O)CC1CCCC1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C20H19F6NO2/c21-19(22,23)18(29,20(24,25)26)15-10-9-13-7-3-4-8-14(13)17(15)27-16(28)11-12-5-1-2-6-12/h3-4,7-10,12,29H,1-2,5-6,11H2,(H,27,28)
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| InChIKey |
SQIOSKPMCKIBDS-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