General Information of the Compound
| Compound ID |
CP0467992
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| Compound Name |
prop-2-ynyl N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate
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| Structure |
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| Formula |
C18H13ClN2O3
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| Molecular Weight |
340.766
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| Canonical SMILES |
Cc1ccc2oc(nc2c1)-c1cc(NC(=O)OCC#C)ccc1Cl
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| InChI |
InChI=1S/C18H13ClN2O3/c1-3-8-23-18(22)20-12-5-6-14(19)13(10-12)17-21-15-9-11(2)4-7-16(15)24-17/h1,4-7,9-10H,8H2,2H3,(H,20,22)
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| InChIKey |
KIHWFGPEVOYWTR-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