General Information of the Compound
| Compound ID |
CP0902912
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-1-(2-(dimethylamino)-2-oxoethyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
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| Structure |
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| Formula |
C28H27F2N5O4
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| Molecular Weight |
535.551
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| Canonical SMILES |
CN(C)C(=O)Cn1cccc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)c1=O
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| InChI |
InChI=1S/C28H27F2N5O4/c1-33(2)26(36)17-35-11-3-4-21(28(35)38)27(37)32-23-14-18(16-31)5-7-24(23)34-12-9-20(10-13-34)39-25-8-6-19(29)15-22(25)30/h3-8,11,14-15,20H,9-10,12-13,17H2,1-2H3,(H,32,37)
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| InChIKey |
HUMQUCBRIPNBDW-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