General Information of the Compound
| Compound ID |
CP0055493
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| Compound Name |
4-trifluoromethoxy-N-(2-trifluoromethyl-benzyl)-benzamidine
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| Structure |
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| Formula |
C16H12F6N2O
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| Molecular Weight |
362.273
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| Canonical SMILES |
NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C16H12F6N2O/c17-15(18,19)13-4-2-1-3-11(13)9-24-14(23)10-5-7-12(8-6-10)25-16(20,21)22/h1-8H,9H2,(H2,23,24)
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| InChIKey |
YGOCAMFQDLFNQK-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