General Information of the Compound
| Compound ID |
CP0438528
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| Compound Name |
N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pent-4-ynamide
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| Structure |
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| Formula |
C19H15ClN2O2
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| Molecular Weight |
338.794
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| Canonical SMILES |
Cc1ccc2oc(nc2c1)-c1cc(NC(=O)CCC#C)ccc1Cl
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| InChI |
InChI=1S/C19H15ClN2O2/c1-3-4-5-18(23)21-13-7-8-15(20)14(11-13)19-22-16-10-12(2)6-9-17(16)24-19/h1,6-11H,4-5H2,2H3,(H,21,23)
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| InChIKey |
QJFAVKLUVIJYND-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