General Information of the Compound
| Compound ID |
CP0102292
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| Compound Name |
3,4-Dichloro-N-(2-trifluoromethoxy-benzyl)-benzamidine
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| Structure |
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| Formula |
C15H11Cl2F3N2O
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| Molecular Weight |
363.166
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| Canonical SMILES |
NC(=NCc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C15H11Cl2F3N2O/c16-11-6-5-9(7-12(11)17)14(21)22-8-10-3-1-2-4-13(10)23-15(18,19)20/h1-7H,8H2,(H2,21,22)
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| InChIKey |
KZHQQVQAVWJTDA-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