General Information of the Compound
| Compound ID |
CP0528053
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| Compound Name |
3-chloro-4-fluoro-N-[(3S,5S)-1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-5-methylpyrrolidin-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C21H22ClF2N3O3S
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| Molecular Weight |
469.941
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| Canonical SMILES |
C[C@H]1C[C@@H](CN1CCCc1noc2cc(F)ccc12)NS(=O)(=O)c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C21H22ClF2N3O3S/c1-13-9-15(26-31(28,29)16-5-7-19(24)18(22)11-16)12-27(13)8-2-3-20-17-6-4-14(23)10-21(17)30-25-20/h4-7,10-11,13,15,26H,2-3,8-9,12H2,1H3/t13-,15-/m0/s1
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| InChIKey |
WPHJGSMNRMHHKG-ZFWWWQNUSA-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: 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