General Information of the Compound
| Compound ID |
CP0478472
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| Compound Name |
5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)amino]-3',4',5',6'-tetrahydro-2'H-[2,4']bipyridinyl-1'-carboxylic AcidMethyl Ester
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| Structure |
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| Formula |
C23H21F3N4O4
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| Molecular Weight |
474.439
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| Canonical SMILES |
COC(=O)N1CCC(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
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| InChI |
InChI=1S/C23H21F3N4O4/c1-33-22(32)30-11-9-14(10-12-30)17-8-7-16(13-27-17)28-20(31)18-19(23(24,25)26)34-21(29-18)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,28,31)
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| InChIKey |
JPQRDOAIVLRLFE-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