General Information of the Compound
| Compound ID |
CP0866391
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-2,3-dimethoxybenzamide
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| Structure |
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| Formula |
C27H25F2N3O4
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| Molecular Weight |
493.51
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| Canonical SMILES |
COc1cccc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)c1OC
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| InChI |
InChI=1S/C27H25F2N3O4/c1-34-25-5-3-4-20(26(25)35-2)27(33)31-22-14-17(16-30)6-8-23(22)32-12-10-19(11-13-32)36-24-9-7-18(28)15-21(24)29/h3-9,14-15,19H,10-13H2,1-2H3,(H,31,33)
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| InChIKey |
NNXJNANTCQTVFZ-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