General Information of the Compound
| Compound ID |
CP0429060
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| Compound Name |
8-chloro-4-hydroxy-N-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
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| Structure |
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| Formula |
C21H20ClF3N2O3
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| Molecular Weight |
440.849
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| Canonical SMILES |
OC1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(Cl)cccc12
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| InChI |
InChI=1S/C21H20ClF3N2O3/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/h1-7,17,28H,8-12H2,(H,26,29)
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| InChIKey |
IELJAKQICRQYBF-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