General Information of the Compound
| Compound ID |
CP0880729
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| Compound Name |
endo-8-(5-Methoxy-1H-indol-3-ylmethyl)-3-(4-chlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
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| Formula |
C23H25ClN2O2
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| Molecular Weight |
396.918
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| Canonical SMILES |
COc1ccc2[nH]cc(CN3[C@@H]4CC[C@H]3C[C@](O)(c3ccc(Cl)cc3)C4)c2c1
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| InChI |
InChI=1S/C23H25ClN2O2/c1-28-20-8-9-22-21(10-20)15(13-25-22)14-26-18-6-7-19(26)12-23(27,11-18)16-2-4-17(24)5-3-16/h2-5,8-10,13,18-19,25,27H,6-7,11-12,14H2,1H3/t18-,19+,23+
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| InChIKey |
HFZAKKDYDONOQJ-MOJGAOKDSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor