General Information of the Compound
| Compound ID |
CP0389125
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| Compound Name |
6-fluoro-3-[1-[2-[(2R)-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]ethyl]piperidin-4-yl]-1,2-benzoxazole
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| Structure |
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| Formula |
C27H29FN4O3S
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| Molecular Weight |
508.619
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| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ncccc23)CC1
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| InChI |
InChI=1S/C27H29FN4O3S/c28-20-8-9-23-25(18-20)35-30-27(23)19-10-15-31(16-11-19)17-12-21-4-3-14-32(21)36(33,34)26-7-1-6-24-22(26)5-2-13-29-24/h1-2,5-9,13,18-19,21H,3-4,10-12,14-17H2/t21-/m1/s1
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| InChIKey |
AAYBHLNWKYXETD-OAQYLSRUSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor