General Information of the Compound
| Compound ID |
CP0953007
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| Compound Name |
4-(2-Isopropoxy-3-methyl-benzoylamino)-tetrahydro-thiopyran-4-carboxylic acid
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| Structure |
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| Formula |
C17H23NO4S
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| Molecular Weight |
337.441
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| Canonical SMILES |
Cc1cccc(C(=O)NC2(C(=O)O)CCSCC2)c1OC(C)C
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| InChI |
InChI=1S/C17H23NO4S/c1-11(2)22-14-12(3)5-4-6-13(14)15(19)18-17(16(20)21)7-9-23-10-8-17/h4-6,11H,7-10H2,1-3H3,(H,18,19)(H,20,21)
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| InChIKey |
WJRJYMFQPCHTNH-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