General Information of the Compound
| Compound ID |
CP0176381
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| Compound Name |
[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone
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| Structure |
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| Formula |
C14H13N3O3S
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| Molecular Weight |
303.343
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| Canonical SMILES |
Nc1nc(NCC=C)sc1C(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C14H13N3O3S/c1-2-5-16-14-17-13(15)12(21-14)11(18)8-3-4-9-10(6-8)20-7-19-9/h2-4,6H,1,5,7,15H2,(H,16,17)
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| InChIKey |
QZGNNZWLTJDKRG-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