General Information of the Compound
| Compound ID |
CP0462939
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| Compound Name |
4-[(4-carbamoylpiperidin-1-yl)methyl]-N-[(1R,3S)-3-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C24H29F3N4O4
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| Molecular Weight |
494.514
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| Canonical SMILES |
NC(=O)C1CCN(Cc2c(noc2-c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H]2CCC[C@H](O)C2)CC1
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| InChI |
InChI=1S/C24H29F3N4O4/c25-24(26,27)16-6-4-14(5-7-16)21-19(13-31-10-8-15(9-11-31)22(28)33)20(30-35-21)23(34)29-17-2-1-3-18(32)12-17/h4-7,15,17-18,32H,1-3,8-13H2,(H2,28,33)(H,29,34)/t17-,18+/m1/s1
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| InChIKey |
LYGNLNXLSQYYTC-MSOLQXFVSA-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