General Information of the Compound
| Compound ID |
CP0517215
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| Compound Name |
N-[(3S,4S)-1-cyclohexyl-3-[ethyl(methyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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| Formula |
C25H32F2N4O3
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| Molecular Weight |
474.552
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| Canonical SMILES |
CCN(C)C(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1
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| InChI |
InChI=1S/C25H32F2N4O3/c1-3-30(2)25(33)19-15-31(17-7-5-4-6-8-17)12-11-21(19)28-24(32)22-14-23(34-29-22)18-10-9-16(26)13-20(18)27/h9-10,13-14,17,19,21H,3-8,11-12,15H2,1-2H3,(H,28,32)/t19-,21-/m0/s1
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| InChIKey |
MEUZZAWNHHXAPG-FPOVZHCZSA-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