General Information of the Compound
| Compound ID |
CP0401996
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| Compound Name |
N-(cyclohexylmethyl)-4-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
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| Structure |
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| Formula |
C26H36N4O4S
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| Molecular Weight |
500.665
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1
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| InChI |
InChI=1S/C26H36N4O4S/c31-30(32)25-12-14-26(15-13-25)35(33,34)29(22-23-8-3-1-4-9-23)17-7-16-27-18-20-28(21-19-27)24-10-5-2-6-11-24/h2,5-6,10-15,23H,1,3-4,7-9,16-22H2
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| InChIKey |
LMOKVEBHFYFLTH-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