General Information of the Compound
| Compound ID |
CP0430863
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| Compound Name |
2-(Benzothiazol-2-ylsulfanyl)-N-[1-(3-chloro-benzyl)-piperidin-4-yl]-acetamide
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| Structure |
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| Formula |
C21H22ClN3OS2
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| Molecular Weight |
432.014
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| Canonical SMILES |
Clc1cccc(CN2CCC(CC2)NC(=O)CSc2nc3ccccc3s2)c1
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| InChI |
InChI=1S/C21H22ClN3OS2/c22-16-5-3-4-15(12-16)13-25-10-8-17(9-11-25)23-20(26)14-27-21-24-18-6-1-2-7-19(18)28-21/h1-7,12,17H,8-11,13-14H2,(H,23,26)
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| InChIKey |
ZOSLWYPGKZWGQK-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: PT01070, C-C chemokine receptor type 1
Protein ID: PT01215, C-C chemokine receptor type 3