General Information of the Compound
| Compound ID |
CP0376431
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| Compound Name |
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid 4-methoxy-benzylamide
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| Structure |
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| Formula |
C23H24ClN3O4S
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| Molecular Weight |
473.982
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| Canonical SMILES |
COc1ccc(CNC(=O)C2CCN(CC2)C(=O)Cn2c3cc(Cl)ccc3sc2=O)cc1
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| InChI |
InChI=1S/C23H24ClN3O4S/c1-31-18-5-2-15(3-6-18)13-25-22(29)16-8-10-26(11-9-16)21(28)14-27-19-12-17(24)4-7-20(19)32-23(27)30/h2-7,12,16H,8-11,13-14H2,1H3,(H,25,29)
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| InChIKey |
DJDGVSTYUBCKHB-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