General Information of the Compound
| Compound ID |
CP0350271
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| Compound Name |
3-(3-fluoro-4-{[2-(pyridin-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
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| Structure |
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| Formula |
C27H19FN4O2S2
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| Molecular Weight |
514.607
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| Canonical SMILES |
Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1ccccn1
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| InChI |
InChI=1S/C27H19FN4O2S2/c28-19-15-18(31-27(35)32-25(33)14-17-6-2-1-3-7-17)9-10-22(19)34-23-11-13-30-21-16-24(36-26(21)23)20-8-4-5-12-29-20/h1-13,15-16H,14H2,(H2,31,32,33,35)
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| InChIKey |
YHNFDTDPUBTIIP-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