General Information of the Compound
| Compound ID |
CP0394667
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| Compound Name |
CHEMBL1644481
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| Formula |
C14H16F3NO
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| Molecular Weight |
271.282
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| Canonical SMILES |
FC(F)(F)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
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| InChI |
InChI=1S/C14H16F3NO/c15-14(16,17)9-2-1-3-12(6-9)19-13-7-10-4-5-11(8-13)18-10/h1-3,6,10-11,13,18H,4-5,7-8H2/t10-,11+,13-
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| InChIKey |
CIJDXZHBTVURGN-PTEHBNRSSA-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter