General Information of the Compound
| Compound ID |
CP0370381
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| Compound Name |
3-(5-chloro-6-cyano-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
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| Structure |
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| Formula |
C11H7ClN2O4
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| Molecular Weight |
266.64
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| Canonical SMILES |
OC(=O)CCn1c2cc(Cl)c(cc2oc1=O)C#N
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| InChI |
InChI=1S/C11H7ClN2O4/c12-7-4-8-9(3-6(7)5-13)18-11(17)14(8)2-1-10(15)16/h3-4H,1-2H2,(H,15,16)
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| InChIKey |
LEJTWJZGMMVIOQ-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