General Information of the Compound
| Compound ID |
CP0852100
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| Compound Name |
rac-6-[3-Chloro-4-(trifluoromethyl)phenyl]-1-[(methyloxy)methyl]-3-azabicyclo[4.1.0]heptane
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| Structure |
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| Formula |
C15H17ClF3NO
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| Molecular Weight |
319.754
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| Canonical SMILES |
COC[C@@]12CNCC[C@]1(c1ccc(C(F)(F)F)c(Cl)c1)C2
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| InChI |
InChI=1S/C15H17ClF3NO/c1-21-9-13-7-14(13,4-5-20-8-13)10-2-3-11(12(16)6-10)15(17,18)19/h2-3,6,20H,4-5,7-9H2,1H3/t13-,14-/m1/s1
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| InChIKey |
KXJGGCUESGCVLH-ZIAGYGMSSA-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