General Information of the Compound
| Compound ID |
CP0530158
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| Compound Name |
butyl N-[3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-4-(2-methoxyethoxy)phenyl]propyl]carbamate
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| Structure |
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| Formula |
C23H28ClF3N2O5
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| Molecular Weight |
504.933
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| Canonical SMILES |
CCCCOC(=O)NCCCc1ccc(OCCOC)cc1Oc1ncc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C23H28ClF3N2O5/c1-3-4-10-33-22(30)28-9-5-6-16-7-8-18(32-12-11-31-2)14-20(16)34-21-19(24)13-17(15-29-21)23(25,26)27/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,28,30)
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| InChIKey |
KIGHNTNKIXEASO-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