General Information of the Compound
| Compound ID |
CP0433260
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| Compound Name |
(2S,3S)-N-(6-bromopyridin-3-yl)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
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| Structure |
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| Formula |
C20H21BrClN3O
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| Molecular Weight |
434.765
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| Canonical SMILES |
CN1C2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)nc1
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| InChI |
InChI=1S/C20H21BrClN3O/c1-25-15-7-8-17(25)19(16(10-15)12-2-4-13(22)5-3-12)20(26)24-14-6-9-18(21)23-11-14/h2-6,9,11,15-17,19H,7-8,10H2,1H3,(H,24,26)/t15?,16-,17?,19+/m1/s1
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| InChIKey |
DAXFTWVNVGRVQC-AFNJWWOFSA-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