General Information of the Compound
| Compound ID |
CP0438084
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| Compound Name |
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid (4-chloro-naphthalen-1-yl)-amide
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| Structure |
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| Formula |
C25H21Cl2N3O3S
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| Molecular Weight |
514.434
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| Canonical SMILES |
Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3ccc(Cl)c4ccccc34)c2c1
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| InChI |
InChI=1S/C25H21Cl2N3O3S/c26-16-5-8-22-21(13-16)30(25(33)34-22)14-23(31)29-11-9-15(10-12-29)24(32)28-20-7-6-19(27)17-3-1-2-4-18(17)20/h1-8,13,15H,9-12,14H2,(H,28,32)
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| InChIKey |
YCSGMUUYINWGHM-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