General Information of the Compound
| Compound ID |
CP0249084
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| Compound Name |
2-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-2-fluorophenyl]piperidin-4-yl]-N,N-diethyl-2-phenylacetamide
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| Structure |
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| Formula |
C29H36FN5O3
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| Molecular Weight |
521.637
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| Canonical SMILES |
CCN(CC)C(=O)C(C1CCN(CC1)c1ccc(NC(=O)Nc2c(C)noc2C)cc1F)c1ccccc1
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| InChI |
InChI=1S/C29H36FN5O3/c1-5-34(6-2)28(36)26(21-10-8-7-9-11-21)22-14-16-35(17-15-22)25-13-12-23(18-24(25)30)31-29(37)32-27-19(3)33-38-20(27)4/h7-13,18,22,26H,5-6,14-17H2,1-4H3,(H2,31,32,37)
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| InChIKey |
HHXQMLIHQFHIJU-UHFFFAOYSA-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