General Information of the Compound
| Compound ID |
CP0919167
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| Compound Name |
endo-8-(5-Methoxy-1H-indol-3-ylmethyl)-3-(4-methylthiophenyl)-8-azabicyclo[3.2.1]octan-3-ol
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| Formula |
C24H28N2O2S
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| Molecular Weight |
408.567
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| Canonical SMILES |
COc1ccc2[nH]cc(CN3[C@@H]4CC[C@H]3C[C@](O)(c3ccc(SC)cc3)C4)c2c1
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| InChI |
InChI=1S/C24H28N2O2S/c1-28-20-7-10-23-22(11-20)16(14-25-23)15-26-18-5-6-19(26)13-24(27,12-18)17-3-8-21(29-2)9-4-17/h3-4,7-11,14,18-19,25,27H,5-6,12-13,15H2,1-2H3/t18-,19+,24+
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| InChIKey |
KNKGKWINGHKSAD-HROJSSOGSA-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