General Information of the Compound
| Compound ID |
CP0447107
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| Compound Name |
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-6-chloronaphthalene-2-sulfonamide
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| Structure |
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| Formula |
C25H27ClN4O2S2
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| Molecular Weight |
515.104
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| Canonical SMILES |
Clc1ccc2cc(ccc2c1)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
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| InChI |
InChI=1S/C25H27ClN4O2S2/c26-21-9-7-20-18-22(10-8-19(20)17-21)34(31,32)27-11-3-4-12-29-13-15-30(16-14-29)25-23-5-1-2-6-24(23)33-28-25/h1-2,5-10,17-18,27H,3-4,11-16H2
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| InChIKey |
YASIAEWQHNEVDZ-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor