General Information of the Compound
| Compound ID |
CP0440339
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| Compound Name |
N-[[(2R,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl]-6-fluoropyridin-2-amine
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| Structure |
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| Formula |
C20H23ClFN3
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| Molecular Weight |
359.876
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| Canonical SMILES |
CN1C2CCC1[C@@H](CNc1cccc(F)n1)[C@H](C2)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H23ClFN3/c1-25-15-9-10-18(25)17(12-23-20-4-2-3-19(22)24-20)16(11-15)13-5-7-14(21)8-6-13/h2-8,15-18H,9-12H2,1H3,(H,23,24)/t15?,16-,17+,18?/m1/s1
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| InChIKey |
QWGVIOYTQRTWPO-UMQBVGHOSA-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