General Information of the Compound
| Compound ID |
CP0395876
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| Compound Name |
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1,3-benzothiazole-4-sulfonamide
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| Structure |
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| Formula |
C22H25N5O2S3
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| Molecular Weight |
487.676
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| Canonical SMILES |
O=S(=O)(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2scnc12
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| InChI |
InChI=1S/C22H25N5O2S3/c28-32(29,20-9-5-8-19-21(20)23-16-30-19)24-10-3-4-11-26-12-14-27(15-13-26)22-17-6-1-2-7-18(17)31-25-22/h1-2,5-9,16,24H,3-4,10-15H2
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| InChIKey |
YQHLZLIFZLFKSH-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