General Information of the Compound
| Compound ID |
CP0553177
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| Compound Name |
N-[3,5-dichloro-4-(3-cyano-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide
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| Formula |
C23H19Cl2N3O2
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| Molecular Weight |
440.33
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| Canonical SMILES |
CC(C)c1cc(Oc2c(Cl)cc(NC(=O)Cc3cccnc3)cc2Cl)cc(c1)C#N
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| InChI |
InChI=1S/C23H19Cl2N3O2/c1-14(2)17-6-16(12-26)7-19(9-17)30-23-20(24)10-18(11-21(23)25)28-22(29)8-15-4-3-5-27-13-15/h3-7,9-11,13-14H,8H2,1-2H3,(H,28,29)
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| InChIKey |
MERHBJSUPAQXHW-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