General Information of the Compound
| Compound ID |
CP0558420
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| Compound Name |
(S)-4-(6-(((2-(2-(1-Fluoroethyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxybenzofuran-4-yl)oxy)methyl)pyridin-2-yl)tetrahydro-2H-pyran-4-ol
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| Structure |
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| Formula |
C26H25FN4O5S
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| Molecular Weight |
524.574
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| Canonical SMILES |
COc1cc(OCc2cccc(n2)C2(O)CCOCC2)c2cc(oc2c1)-c1cn2nc(sc2n1)[C@H](C)F
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| InChI |
InChI=1S/C26H25FN4O5S/c1-15(27)24-30-31-13-19(29-25(31)37-24)22-12-18-20(10-17(33-2)11-21(18)36-22)35-14-16-4-3-5-23(28-16)26(32)6-8-34-9-7-26/h3-5,10-13,15,32H,6-9,14H2,1-2H3/t15-/m0/s1
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| InChIKey |
BFJWHYCHYOUZLZ-HNNXBMFYSA-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