General Information of the Compound
| Compound ID |
CP0879779
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| Compound Name |
endo-8-(Benzothien-3-ylmethyl)-3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
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| Formula |
C22H21Cl2NOS
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| Molecular Weight |
418.389
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| Canonical SMILES |
O[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@@H](C1)N2Cc1csc2ccccc12
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| InChI |
InChI=1S/C22H21Cl2NOS/c23-19-8-5-15(9-20(19)24)22(26)10-16-6-7-17(11-22)25(16)12-14-13-27-21-4-2-1-3-18(14)21/h1-5,8-9,13,16-17,26H,6-7,10-12H2/t16-,17+,22+
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| InChIKey |
VFPMJQLPEIDGKV-YPGOJHLTSA-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