General Information of the Compound
| Compound ID |
CP0444874
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| Compound Name |
N-[(3R,4R)-1-cyclohexyl-3-(dimethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C24H30F2N4O3
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| Molecular Weight |
460.525
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| Canonical SMILES |
CN(C)C(=O)[C@@H]1CN(CC[C@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1
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| InChI |
InChI=1S/C24H30F2N4O3/c1-29(2)24(32)18-14-30(16-6-4-3-5-7-16)11-10-20(18)27-23(31)21-13-22(33-28-21)17-9-8-15(25)12-19(17)26/h8-9,12-13,16,18,20H,3-7,10-11,14H2,1-2H3,(H,27,31)/t18-,20-/m1/s1
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| InChIKey |
WTQZMARGZPHBHA-UYAOXDASSA-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