General Information of the Compound
| Compound ID |
CP0004051
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| Compound Name |
5-[(1R,2S,3S,5S)-3-(4-chloro-3-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole
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| Structure |
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| Formula |
C24H25ClN2O
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| Molecular Weight |
392.93
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| Canonical SMILES |
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)c(C)c1)c1cc(no1)-c1ccccc1
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| InChI |
InChI=1S/C24H25ClN2O/c1-15-12-17(8-10-20(15)25)19-13-18-9-11-22(27(18)2)24(19)23-14-21(26-28-23)16-6-4-3-5-7-16/h3-8,10,12,14,18-19,22,24H,9,11,13H2,1-2H3/t18-,19+,22+,24-/m0/s1
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| InChIKey |
QGJBJCQWBZDANK-WGWURMLHSA-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