General Information of the Compound
| Compound ID |
CP0572605
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| Compound Name |
N-[(3R,4R)-1-cyclohexyl-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C29H33F2N5O3
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| Molecular Weight |
537.611
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| Canonical SMILES |
C[C@@H](NC(=O)[C@@H]1CN(CC[C@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1)c1ccccn1
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| InChI |
InChI=1S/C29H33F2N5O3/c1-18(24-9-5-6-13-32-24)33-28(37)22-17-36(20-7-3-2-4-8-20)14-12-25(22)34-29(38)26-16-27(39-35-26)21-11-10-19(30)15-23(21)31/h5-6,9-11,13,15-16,18,20,22,25H,2-4,7-8,12,14,17H2,1H3,(H,33,37)(H,34,38)/t18-,22-,25-/m1/s1
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| InChIKey |
MXCWYLRFOQOZOR-YBGOQADZSA-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