General Information of the Compound
| Compound ID |
CP0440753
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| Compound Name |
5-chloro-N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-3-methyl-1-benzothiophene-2-sulfonamide
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| Structure |
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| Formula |
C25H27ClFN3O3S2
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| Molecular Weight |
536.094
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| Canonical SMILES |
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)NCCCCN1CCC(CC1)c1noc2cc(F)ccc12
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| InChI |
InChI=1S/C25H27ClFN3O3S2/c1-16-21-14-18(26)4-7-23(21)34-25(16)35(31,32)28-10-2-3-11-30-12-8-17(9-13-30)24-20-6-5-19(27)15-22(20)33-29-24/h4-7,14-15,17,28H,2-3,8-13H2,1H3
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| InChIKey |
QVJKMHVHKSTLSO-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