General Information of the Compound
| Compound ID |
CP0429062
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| Compound Name |
8-fluoro-4-oxo-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
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| Structure |
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| Formula |
C21H18F4N2O3
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| Molecular Weight |
422.378
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| Canonical SMILES |
Fc1cccc2C(=O)CC3(CCN(CC3)C(=O)Nc3ccc(cc3)C(F)(F)F)Oc12
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| InChI |
InChI=1S/C21H18F4N2O3/c22-16-3-1-2-15-17(28)12-20(30-18(15)16)8-10-27(11-9-20)19(29)26-14-6-4-13(5-7-14)21(23,24)25/h1-7H,8-12H2,(H,26,29)
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| InChIKey |
IAAPPNVCPZAONL-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