General Information of the Compound
| Compound ID |
CP0358346
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| Compound Name |
3-(4-{[2-(1-ethyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}-3-fluorophenyl)-1-(2-phenylacetyl)thiourea
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| Structure |
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| Formula |
C27H22FN5O2S2
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| Molecular Weight |
531.638
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| Canonical SMILES |
CCn1ccnc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C27H22FN5O2S2/c1-2-33-13-12-30-26(33)23-16-20-25(37-23)22(10-11-29-20)35-21-9-8-18(15-19(21)28)31-27(36)32-24(34)14-17-6-4-3-5-7-17/h3-13,15-16H,2,14H2,1H3,(H2,31,32,34,36)
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| InChIKey |
BSSQWRSSNZFRMM-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