General Information of the Compound
| Compound ID |
CP0951851
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| Compound Name |
5-(2-Isopropoxy-3-methyl-benzoylamino)-1,3-dimethyl-5,6-dihydro-4H-cyclopenta[c]thiophene-5-carboxylic acid
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| Structure |
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| Formula |
C21H25NO4S
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| Molecular Weight |
387.501
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| Canonical SMILES |
Cc1cccc(C(=O)NC2(C(=O)O)Cc3c(C)sc(C)c3C2)c1OC(C)C
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| InChI |
InChI=1S/C21H25NO4S/c1-11(2)26-18-12(3)7-6-8-15(18)19(23)22-21(20(24)25)9-16-13(4)27-14(5)17(16)10-21/h6-8,11H,9-10H2,1-5H3,(H,22,23)(H,24,25)
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| InChIKey |
QFAHOVXWUGTKOF-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