General Information of the Compound
| Compound ID |
CP0342500
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| Compound Name |
3-[3-fluoro-4-({2-[(4-methylpiperazin-1-yl)carbonyl]thieno[3,2-b]pyridin-7-yl}oxy)phenyl]-1-(2-phenylacetyl)thiourea
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| Structure |
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| Formula |
C28H26FN5O3S2
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| Molecular Weight |
563.68
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C28H26FN5O3S2/c1-33-11-13-34(14-12-33)27(36)24-17-21-26(39-24)23(9-10-30-21)37-22-8-7-19(16-20(22)29)31-28(38)32-25(35)15-18-5-3-2-4-6-18/h2-10,16-17H,11-15H2,1H3,(H2,31,32,35,38)
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| InChIKey |
FVUINRBQOUDLSO-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