General Information of the Compound
| Compound ID |
CP0377773
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| Compound Name |
(3-Benzooxazol-2-yl-4-chloro-phenyl)-carbamic acid prop-2-ynyl ester
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| Structure |
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| Formula |
C17H11ClN2O3
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| Molecular Weight |
326.739
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| Canonical SMILES |
Clc1ccc(NC(=O)OCC#C)cc1-c1nc2ccccc2o1
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| InChI |
InChI=1S/C17H11ClN2O3/c1-2-9-22-17(21)19-11-7-8-13(18)12(10-11)16-20-14-5-3-4-6-15(14)23-16/h1,3-8,10H,9H2,(H,19,21)
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| InChIKey |
JHJJFPNIKJTIHZ-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