General Information of the Compound
| Compound ID |
CP0870788
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| Compound Name |
4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidinium trifluoroacetate
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| Structure |
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| Formula |
C17H22F3NO2
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| Molecular Weight |
329.362
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| Canonical SMILES |
O=C(O)C(F)(F)F.c1cc2c(c(C3CCNCC3)c1)CCCC2
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| InChI |
InChI=1S/C15H21N.C2HF3O2/c1-2-6-14-12(4-1)5-3-7-15(14)13-8-10-16-11-9-13;3-2(4,5)1(6)7/h3,5,7,13,16H,1-2,4,6,8-11H2;(H,6,7)
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| InChIKey |
YZLNBPAZPMGEMJ-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