General Information of the Compound
| Compound ID |
CP0918928
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| Compound Name |
endo-8-(Benzofur-3-ylmethyl)-3-(4-bromophenyl)-8-azabicyclo-[3.2.1]octan-3-ol
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| Formula |
C22H22BrNO2
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| Molecular Weight |
412.327
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| Canonical SMILES |
O[C@@]1(c2ccc(Br)cc2)C[C@H]2CC[C@@H](C1)N2Cc1coc2ccccc12
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| InChI |
InChI=1S/C22H22BrNO2/c23-17-7-5-16(6-8-17)22(25)11-18-9-10-19(12-22)24(18)13-15-14-26-21-4-2-1-3-20(15)21/h1-8,14,18-19,25H,9-13H2/t18-,19+,22+
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| InChIKey |
QLWQFJPPXAYVOM-NGRWLJPCSA-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