General Information of the Compound
| Compound ID |
CP0345798
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| Compound Name |
N,N-diethyl-7-(2-fluoro-4-{[(1-phenylacetamido)methanethioyl]amino}phenoxy)thieno[3,2-b]pyridine-2-carboxamide
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| Structure |
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| Formula |
C27H25FN4O3S2
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| Molecular Weight |
536.654
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| Canonical SMILES |
CCN(CC)C(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C27H25FN4O3S2/c1-3-32(4-2)26(34)23-16-20-25(37-23)22(12-13-29-20)35-21-11-10-18(15-19(21)28)30-27(36)31-24(33)14-17-8-6-5-7-9-17/h5-13,15-16H,3-4,14H2,1-2H3,(H2,30,31,33,36)
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| InChIKey |
NXEYJEPOEMMBPI-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