General Information of the Compound
| Compound ID |
CP0461307
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| Compound Name |
5-fluoro-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-3-methyl-1-benzothiophene-2-sulfonamide
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| Structure |
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| Formula |
C24H25F2N3O3S2
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| Molecular Weight |
505.612
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| Canonical SMILES |
Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCN1CCC(CC1)c1noc2cc(F)ccc12
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| InChI |
InChI=1S/C24H25F2N3O3S2/c1-15-20-13-17(25)4-6-22(20)33-24(15)34(30,31)27-9-2-10-29-11-7-16(8-12-29)23-19-5-3-18(26)14-21(19)32-28-23/h3-6,13-14,16,27H,2,7-12H2,1H3
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| InChIKey |
RAYWFVBTQQRRAT-UHFFFAOYSA-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