General Information of the Compound
| Compound ID |
CP0410621
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| Compound Name |
But-2-ynoic acid [4-chloro-3-(5-methyl-benzooxazol-2-yl)-phenyl]-amide
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| Structure |
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| Formula |
C18H13ClN2O2
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| Molecular Weight |
324.767
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| Canonical SMILES |
CC#CC(=O)Nc1ccc(Cl)c(c1)-c1nc2cc(C)ccc2o1
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| InChI |
InChI=1S/C18H13ClN2O2/c1-3-4-17(22)20-12-6-7-14(19)13(10-12)18-21-15-9-11(2)5-8-16(15)23-18/h5-10H,1-2H3,(H,20,22)
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| InChIKey |
QRJHCXJOYLGXCC-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