General Information of the Compound
| Compound ID |
CP0870327
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| Compound Name |
endo-8-(1H-Indol-3-ylmethyl)-3-(4-(methylthio)phenyl)-8-azabicyclo[3.2.1]octan-3-ol
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| Formula |
C23H26N2OS
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| Molecular Weight |
378.541
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| Canonical SMILES |
CSc1ccc([C@]2(O)C[C@H]3CC[C@@H](C2)N3Cc2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C23H26N2OS/c1-27-20-10-6-17(7-11-20)23(26)12-18-8-9-19(13-23)25(18)15-16-14-24-22-5-3-2-4-21(16)22/h2-7,10-11,14,18-19,24,26H,8-9,12-13,15H2,1H3/t18-,19+,23+
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| InChIKey |
VZZGBKXBBHQYML-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