General Information of the Compound
| Compound ID |
CP0563763
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| Compound Name |
N-[4-(5-carbamoyl-2-chlorophenyl)-2-piperidin-1-ylphenyl]-2-chloro-6-fluoro-N-methylbenzamide
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| Structure |
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| Formula |
C26H24Cl2FN3O2
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| Molecular Weight |
500.401
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| Canonical SMILES |
CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CCCCC1)-c1cc(ccc1Cl)C(N)=O
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| InChI |
InChI=1S/C26H24Cl2FN3O2/c1-31(26(34)24-20(28)6-5-7-21(24)29)22-11-9-16(15-23(22)32-12-3-2-4-13-32)18-14-17(25(30)33)8-10-19(18)27/h5-11,14-15H,2-4,12-13H2,1H3,(H2,30,33)
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| InChIKey |
NFUSQHJZBUXSHD-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