General Information of the Compound
| Compound ID |
CP0552785
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| Compound Name |
N-[(3S,5S)-1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-5-methylpyrrolidin-3-yl]naphthalene-2-sulfonamide
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| Structure |
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| Formula |
C25H26FN3O3S
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| Molecular Weight |
467.566
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| Canonical SMILES |
C[C@H]1C[C@@H](CN1CCCc1noc2cc(F)ccc12)NS(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C25H26FN3O3S/c1-17-13-21(28-33(30,31)22-10-8-18-5-2-3-6-19(18)14-22)16-29(17)12-4-7-24-23-11-9-20(26)15-25(23)32-27-24/h2-3,5-6,8-11,14-15,17,21,28H,4,7,12-13,16H2,1H3/t17-,21-/m0/s1
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| InChIKey |
HLGKXVMBSLHNKH-UWJYYQICSA-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