General Information of the Compound
| Compound ID |
CP0427474
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| Compound Name |
2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-5-(3,4-dimethoxyphenyl)-1,3-thiazole
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| Structure |
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| Formula |
C25H27ClN2O2S
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| Molecular Weight |
455.023
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C
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| InChI |
InChI=1S/C25H27ClN2O2S/c1-28-18-9-10-20(28)24(19(13-18)15-4-7-17(26)8-5-15)25-27-14-23(31-25)16-6-11-21(29-2)22(12-16)30-3/h4-8,11-12,14,18-20,24H,9-10,13H2,1-3H3/t18-,19+,20+,24-/m0/s1
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| InChIKey |
MRPLQNITIUKVEG-SMOZNVCYSA-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