General Information of the Compound
| Compound ID |
CP0375469
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| Compound Name |
N-[1-[2-(2-tert-butylphenoxy)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C27H37FN2O3S
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| Molecular Weight |
488.669
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| Canonical SMILES |
CC(C)(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H37FN2O3S/c1-27(2,3)25-6-4-5-7-26(25)33-19-18-29-16-14-23(15-17-29)30(20-21-8-9-21)34(31,32)24-12-10-22(28)11-13-24/h4-7,10-13,21,23H,8-9,14-20H2,1-3H3
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| InChIKey |
KIDWAXFQMIFGTA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor