General Information of the Compound
| Compound ID |
CP0528047
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| Compound Name |
5-chloro-N-[(3S,5S)-1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]-5-methylpyrrolidin-3-yl]-3-methyl-1-benzothiophene-2-sulfonamide
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| Structure |
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| Formula |
C24H25ClFN3O3S2
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| Molecular Weight |
522.067
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| Canonical SMILES |
C[C@H]1C[C@@H](CN1CCCc1noc2cc(F)ccc12)NS(=O)(=O)c1sc2ccc(Cl)cc2c1C
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| InChI |
InChI=1S/C24H25ClFN3O3S2/c1-14-10-18(28-34(30,31)24-15(2)20-11-16(25)5-8-23(20)33-24)13-29(14)9-3-4-21-19-7-6-17(26)12-22(19)32-27-21/h5-8,11-12,14,18,28H,3-4,9-10,13H2,1-2H3/t14-,18-/m0/s1
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| InChIKey |
LAJYORAVGPKORL-KSSFIOAISA-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