General Information of the Compound
| Compound ID |
CP0461296
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| Compound Name |
N-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]butyl]-4-(trifluoromethoxy)benzenesulfonamide
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| Structure |
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| Formula |
C22H25F3N4O4S
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| Molecular Weight |
498.527
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| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1noc2ccccc12
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| InChI |
InChI=1S/C22H25F3N4O4S/c23-22(24,25)32-17-7-9-18(10-8-17)34(30,31)26-11-3-4-12-28-13-15-29(16-14-28)21-19-5-1-2-6-20(19)33-27-21/h1-2,5-10,26H,3-4,11-16H2
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| InChIKey |
XCQOYNXZUPVYAF-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