General Information of the Compound
| Compound ID |
CP0508989
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| Compound Name |
N-cyclohexyl-3-[3,4-dichloro-N-[(4-fluorophenyl)methyl]anilino]propanamide
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| Structure |
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| Formula |
C22H25Cl2FN2O
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| Molecular Weight |
423.359
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| Canonical SMILES |
Fc1ccc(CN(CCC(=O)NC2CCCCC2)c2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C22H25Cl2FN2O/c23-20-11-10-19(14-21(20)24)27(15-16-6-8-17(25)9-7-16)13-12-22(28)26-18-4-2-1-3-5-18/h6-11,14,18H,1-5,12-13,15H2,(H,26,28)
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| InChIKey |
LJQXCUHNDWHBNX-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