General Information of the Compound
| Compound ID |
CP0421632
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| Compound Name |
2-(4-chlorophenyl)-3-methylbutanoic acid
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| Structure |
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| Formula |
C11H13ClO2
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| Molecular Weight |
212.676
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| Canonical SMILES |
CC(C)C(C(O)=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)
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| InChIKey |
VTJMSIIXXKNIDJ-UHFFFAOYSA-N
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| CAS |
2012-74-0
55291-27-5
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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