General Information of the Compound
| Compound ID |
CP0094725
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| Compound Name |
((4-chloro-o-tolyl)oxy)acetic acid,
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| Structure |
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| Formula |
C9H9ClO3
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| Molecular Weight |
200.621
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| Canonical SMILES |
Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
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| InChIKey |
WHKUVVPPKQRRBV-UHFFFAOYSA-N
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| CAS |
94-74-6
11111-14-1
50926-55-1
11111-13-0
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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: PT06109, Geminin
Protein ID: PT01171, Prostaglandin D2 receptor 2