General Information of the Compound
| Compound ID |
CP0492831
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| Compound Name |
N-(cyclopropylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
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| Structure |
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| Formula |
C24H33N3O3S
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| Molecular Weight |
443.613
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CC1
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| InChI |
InChI=1S/C24H33N3O3S/c1-30-23-10-12-24(13-11-23)31(28,29)27(20-21-8-9-21)15-5-14-25-16-18-26(19-17-25)22-6-3-2-4-7-22/h2-4,6-7,10-13,21H,5,8-9,14-20H2,1H3
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| InChIKey |
KCQYIQQSKRODHM-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