General Information of the Compound
| Compound ID |
CP0447126
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| Compound Name |
N-[3-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]propyl]-1,3-benzothiazole-4-sulfonamide
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| Structure |
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| Formula |
C21H23N5O3S2
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| Molecular Weight |
457.581
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| Canonical SMILES |
O=S(=O)(NCCCN1CCN(CC1)c1noc2ccccc12)c1cccc2scnc12
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| InChI |
InChI=1S/C21H23N5O3S2/c27-31(28,19-8-3-7-18-20(19)22-15-30-18)23-9-4-10-25-11-13-26(14-12-25)21-16-5-1-2-6-17(16)29-24-21/h1-3,5-8,15,23H,4,9-14H2
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| InChIKey |
DIXICAHJOXMZSL-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