General Information of the Compound
| Compound ID |
CP0529643
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| Compound Name |
ethyl 1-[6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
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| Structure |
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| Formula |
C17H19F3N6O5
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| Molecular Weight |
444.37
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| Canonical SMILES |
CCOC(=O)C1CCN(CC1)c1ncnc(Oc2cc(nn2C)C(F)(F)F)c1[N+]([O-])=O
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| InChI |
InChI=1S/C17H19F3N6O5/c1-3-30-16(27)10-4-6-25(7-5-10)14-13(26(28)29)15(22-9-21-14)31-12-8-11(17(18,19)20)23-24(12)2/h8-10H,3-7H2,1-2H3
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| InChIKey |
GZORJFSITDOUIP-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