General Information of the Compound
| Compound ID |
CP0452722
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| Compound Name |
N-(cyclopropylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide
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| Structure |
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| Formula |
C24H32FN3O3S
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| Molecular Weight |
461.603
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccc(F)cc1)CC1CC1
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| InChI |
InChI=1S/C24H32FN3O3S/c1-31-23-9-11-24(12-10-23)32(29,30)28(19-20-3-4-20)14-2-13-26-15-17-27(18-16-26)22-7-5-21(25)6-8-22/h5-12,20H,2-4,13-19H2,1H3
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| InChIKey |
XNQGQGPTDOGIFO-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