General Information of the Compound
| Compound ID |
CP0514881
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| Compound Name |
N-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C30H39N3O2S
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| Molecular Weight |
505.728
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| Canonical SMILES |
O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C30H39N3O2S/c34-36(35,30-18-9-14-27-13-7-8-17-29(27)30)33(25-26-11-3-1-4-12-26)20-10-19-31-21-23-32(24-22-31)28-15-5-2-6-16-28/h2,5-9,13-18,26H,1,3-4,10-12,19-25H2
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| InChIKey |
CVHVMGILPDMNDK-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