General Information of the Compound
| Compound ID |
CP0202389
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| Compound Name |
N-[1-cyclopropyl-3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]prop-2-ynyl]acetamide
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| Structure |
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| Formula |
C20H22N2O3S
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| Molecular Weight |
370.474
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| Canonical SMILES |
CC(C)Oc1ccc(Oc2ncc(s2)C#CC(NC(C)=O)C2CC2)cc1
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| InChI |
InChI=1S/C20H22N2O3S/c1-13(2)24-16-6-8-17(9-7-16)25-20-21-12-18(26-20)10-11-19(15-4-5-15)22-14(3)23/h6-9,12-13,15,19H,4-5H2,1-3H3,(H,22,23)
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| InChIKey |
BWRFNKNUWCJMFA-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