General Information of the Compound
| Compound ID |
CP0938765
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| Compound Name |
3-chloro-N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-2-methoxybenzamide
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| Structure |
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| Formula |
C26H22ClF2N3O3
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| Molecular Weight |
497.929
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| Canonical SMILES |
COc1c(Cl)cccc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C26H22ClF2N3O3/c1-34-25-19(3-2-4-20(25)27)26(33)31-22-13-16(15-30)5-7-23(22)32-11-9-18(10-12-32)35-24-8-6-17(28)14-21(24)29/h2-8,13-14,18H,9-12H2,1H3,(H,31,33)
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| InChIKey |
HSMKIJAAZFFORD-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