General Information of the Compound
| Compound ID |
CP0909916
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difIuorophenoxy)piperidin-1-yl)phenyl)-5-ethylisoxazole-3-carboxamide
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| Structure |
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| Formula |
C24H22F2N4O3
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| Molecular Weight |
452.461
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| Canonical SMILES |
CCc1cc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)no1
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| InChI |
InChI=1S/C24H22F2N4O3/c1-2-17-13-21(29-33-17)24(31)28-20-11-15(14-27)3-5-22(20)30-9-7-18(8-10-30)32-23-6-4-16(25)12-19(23)26/h3-6,11-13,18H,2,7-10H2,1H3,(H,28,31)
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| InChIKey |
ULAXWKZQOFMMDF-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