General Information of the Compound
| Compound ID |
CP0427470
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| Compound Name |
5-(3,4-dichlorophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,3-thiazole
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| Structure |
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| Formula |
C24H24Cl2N2S
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| Molecular Weight |
443.443
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| Canonical SMILES |
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C24H24Cl2N2S/c1-14-3-5-15(6-4-14)18-12-17-8-10-21(28(17)2)23(18)24-27-13-22(29-24)16-7-9-19(25)20(26)11-16/h3-7,9,11,13,17-18,21,23H,8,10,12H2,1-2H3/t17-,18+,21+,23-/m0/s1
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| InChIKey |
FOMAEAAMXSBAJG-LANGDILFSA-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