General Information of the Compound
| Compound ID |
CP0510724
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| Compound Name |
(5E)-2-amino-1-methyl-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]imidazol-4-one
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| Structure |
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| Formula |
C17H13N3O3S
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| Molecular Weight |
339.376
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| Canonical SMILES |
CN1C(=N)NC(=O)\C1=C/c1ccc(s1)-c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C17H13N3O3S/c1-20-13(15(21)19-17(20)18)7-11-3-5-14(24-11)9-2-4-12-10(6-9)8-23-16(12)22/h2-7H,8H2,1H3,(H2,18,19,21)/b13-7+
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| InChIKey |
ZQGFYLIYUNWDCR-NTUHNPAUSA-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