General Information of the Compound
| Compound ID |
CP0469927
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| Compound Name |
N-(cyclopropylmethyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide
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| Structure |
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| Formula |
C28H32F3N3O2S
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| Molecular Weight |
531.644
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
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| InChI |
InChI=1S/C28H32F3N3O2S/c29-28(30,31)25-7-3-8-26(20-25)33-17-15-32(16-18-33)13-4-14-34(21-22-9-10-22)37(35,36)27-12-11-23-5-1-2-6-24(23)19-27/h1-3,5-8,11-12,19-20,22H,4,9-10,13-18,21H2
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| InChIKey |
KTNLSECYGZNUNR-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