General Information of the Compound
| Compound ID |
CP0415113
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| Compound Name |
N-(cyclopropylmethyl)-4-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
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| Structure |
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| Formula |
C23H30N4O4S
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| Molecular Weight |
458.584
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1ccccc1)CC1CC1
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| InChI |
InChI=1S/C23H30N4O4S/c28-27(29)22-9-11-23(12-10-22)32(30,31)26(19-20-7-8-20)14-4-13-24-15-17-25(18-16-24)21-5-2-1-3-6-21/h1-3,5-6,9-12,20H,4,7-8,13-19H2
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| InChIKey |
TYVAAESJXOVBND-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