General Information of the Compound
| Compound ID |
CP0555176
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| Compound Name |
6-(3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline
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| Structure |
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| Formula |
C16H14F3N
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| Molecular Weight |
277.289
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)-c1ccc2CNCCc2c1
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| InChI |
InChI=1S/C16H14F3N/c17-16(18,19)15-3-1-2-11(9-15)12-4-5-14-10-20-7-6-13(14)8-12/h1-5,8-9,20H,6-7,10H2
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| InChIKey |
XQPGJRYJIUWYCG-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