General Information of the Compound
| Compound ID |
CP0373407
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| Compound Name |
N-(cyclohexylmethyl)-4-methoxy-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide
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| Structure |
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| Formula |
C28H38F3N3O3S
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| Molecular Weight |
553.691
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CCCCC1
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| InChI |
InChI=1S/C28H38F3N3O3S/c1-37-26-11-13-27(14-12-26)38(35,36)34(22-23-7-3-2-4-8-23)16-6-15-32-17-19-33(20-18-32)25-10-5-9-24(21-25)28(29,30)31/h5,9-14,21,23H,2-4,6-8,15-20,22H2,1H3
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| InChIKey |
XRFNGTPQLMHMKC-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00941, 5-hydroxytryptamine receptor 7