General Information of the Compound
| Compound ID |
CP0193575
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| Compound Name |
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid thiazol-2-ylamide
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| Synonyms |
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid thiazol-2-ylamide
BDBM50110568
CHEMBL279073
FR-73966
FR73966
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| Structure |
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| Formula |
C18H17ClN4O3S2
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| Molecular Weight |
436.946
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| Canonical SMILES |
Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3nccs3)c2c1
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| InChI |
InChI=1S/C18H17ClN4O3S2/c19-12-1-2-14-13(9-12)23(18(26)28-14)10-15(24)22-6-3-11(4-7-22)16(25)21-17-20-5-8-27-17/h1-2,5,8-9,11H,3-4,6-7,10H2,(H,20,21,25)
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| InChIKey |
MYSZTUDXDIGAGW-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
Clinical Information about the Compound