General Information of the Compound
| Compound ID |
CP0655462
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| Compound Name |
CHEMBL2040555
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| Formula |
C13H14O4
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| Molecular Weight |
234.251
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| Canonical SMILES |
Cc1cc(C)c(C(=O)/C=C(\O)C(=O)O)c(C)c1
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| InChI |
InChI=1S/C13H14O4/c1-7-4-8(2)12(9(3)5-7)10(14)6-11(15)13(16)17/h4-6,15H,1-3H3,(H,16,17)/b11-6-
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| InChIKey |
SJTUBRICEXELFG-WDZFZDKYSA-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