General Information of the Compound
| Compound ID |
CP0569222
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| Compound Name |
N-[(3S,4S)-1-cyclohexyl-3-[methyl(2-phenylethyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C31H36F2N4O3
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| Molecular Weight |
550.65
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| Canonical SMILES |
CN(CCc1ccccc1)C(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1
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| InChI |
InChI=1S/C31H36F2N4O3/c1-36(16-14-21-8-4-2-5-9-21)31(39)25-20-37(23-10-6-3-7-11-23)17-15-27(25)34-30(38)28-19-29(40-35-28)24-13-12-22(32)18-26(24)33/h2,4-5,8-9,12-13,18-19,23,25,27H,3,6-7,10-11,14-17,20H2,1H3,(H,34,38)/t25-,27-/m0/s1
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| InChIKey |
GAPCYMWRWDTGOA-BDYUSTAISA-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