General Information of the Compound
| Compound ID |
CP0502603
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| Compound Name |
N-(cyclohexylmethyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
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| Structure |
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| Formula |
C27H39N3O3S
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| Molecular Weight |
485.694
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
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| InChI |
InChI=1S/C27H39N3O3S/c1-33-26-13-15-27(16-14-26)34(31,32)30(23-24-9-4-2-5-10-24)18-8-17-28-19-21-29(22-20-28)25-11-6-3-7-12-25/h3,6-7,11-16,24H,2,4-5,8-10,17-23H2,1H3
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| InChIKey |
PAJUHBYYUOFCMD-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