General Information of the Compound
| Compound ID |
CP0218990
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| Compound Name |
3-(3-fluoro-4-{[2-(1,3,4-thiadiazol-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 |
C24H16FN5O2S3
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| Molecular Weight |
521.624
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| Canonical SMILES |
Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1nncs1
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| InChI |
InChI=1S/C24H16FN5O2S3/c25-16-11-15(28-24(33)29-21(31)10-14-4-2-1-3-5-14)6-7-18(16)32-19-8-9-26-17-12-20(35-22(17)19)23-30-27-13-34-23/h1-9,11-13H,10H2,(H2,28,29,31,33)
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| InChIKey |
JVYQBIGQNUDXIK-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