General Information of the Compound
| Compound ID |
CP0394571
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| Compound Name |
2-(4-chloro-2-methylphenoxy)propanoic acid
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| Synonyms |
1-(3-Chlorophenyl)piperazine
MCPP
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| Structure |
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| Formula |
C10H11ClO3
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| Molecular Weight |
214.648
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| Canonical SMILES |
CC(Oc1ccc(Cl)cc1C)C(O)=O
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| InChI |
InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
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| InChIKey |
WNTGYJSOUMFZEP-UHFFFAOYSA-N
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| CAS |
7085-19-0
93-65-2
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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
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT06109, Geminin
Clinical Information about the Compound