General Information of the Compound
| Compound ID |
CP0575257
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| Compound Name |
N-[(3S,4S)-1-cyclohexyl-3-[2-methoxyethyl(methyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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| Formula |
C26H34F2N4O4
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| Molecular Weight |
504.578
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| Canonical SMILES |
COCCN(C)C(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1
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| InChI |
InChI=1S/C26H34F2N4O4/c1-31(12-13-35-2)26(34)20-16-32(18-6-4-3-5-7-18)11-10-22(20)29-25(33)23-15-24(36-30-23)19-9-8-17(27)14-21(19)28/h8-9,14-15,18,20,22H,3-7,10-13,16H2,1-2H3,(H,29,33)/t20-,22-/m0/s1
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| InChIKey |
VPVBMDIFFJGSIT-UNMCSNQZSA-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