General Information of the Compound
| Compound ID |
CP0075207
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| Compound Name |
2-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide
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| Structure |
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| Formula |
C27H32FN5O3
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| Molecular Weight |
493.583
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| Canonical SMILES |
CCNC(=O)C(C1CCN(CC1)c1ccc(NC(=O)Nc2c(C)noc2C)cc1F)c1ccccc1
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| InChI |
InChI=1S/C27H32FN5O3/c1-4-29-26(34)24(19-8-6-5-7-9-19)20-12-14-33(15-13-20)23-11-10-21(16-22(23)28)30-27(35)31-25-17(2)32-36-18(25)3/h5-11,16,20,24H,4,12-15H2,1-3H3,(H,29,34)(H2,30,31,35)
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| InChIKey |
TUKLXCGXWVALDB-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